N-benzyl-5-pyridin-2-ylpyrazin-2-amine;N-[2-(dimethylamino)ethyl]-N-(5-pyridin-2-ylpyrazin-2-yl)benzamide;N-[3-(dimethylamino)propyl]-N-(5-pyridin-2-ylpyrazin-2-yl)benzamide;N',N'-dimethyl-N-(5-pyridin-2-ylpyrazin-2-yl)ethane-1,2-diamine;N',N'-dimethyl-N-(5-pyridin-2-ylpyrazin-2-yl)propane-1,3-diamine;N-(1,3-oxazol-2-ylmethyl)-5-pyridin-2-ylpyrazin-2-amine;N,N,N'-trimethyl-N'-(5-pyridin-2-ylpyrazin-2-yl)ethane-1,2-diamine;N,N,N'-trimethyl-N'-(5-pyridin-2-ylpyrazin-2-yl)propane-1,3-diamine

C126H145N39O3 — CID 165052595

IUPACN-benzyl-5-pyridin-2-ylpyrazin-2-amine;N-[2-(dimethylamino)ethyl]-N-(5-pyridin-2-ylpyrazin-2-yl)benzamide;N-[3-(dimethylamino)propyl]-N-(5-pyridin-2-ylpyrazin-2-yl)benzamide;N',N'-dimethyl-N-(5-pyridin-2-ylpyrazin-2-yl)ethane-1,2-diamine;N',N'-dimethyl-N-(5-pyridin-2-ylpyrazin-2-yl)propane-1,3-diamine;N-(1,3-oxazol-2-ylmethyl)-5-pyridin-2-ylpyrazin-2-amine;N,N,N'-trimethyl-N'-(5-pyridin-2-ylpyrazin-2-yl)ethane-1,2-diamine;N,N,N'-trimethyl-N'-(5-pyridin-2-ylpyrazin-2-yl)propane-1,3-diamine
SMILESCN(C)CCCN(C(=O)c1ccccc1)c1cnc(-c2ccccn2)cn1.CN(C)CCCN(C)c1cnc(-c2ccccn2)cn1.CN(C)CCCNc1cnc(-c2ccccn2)cn1.CN(C)CCN(C(=O)c1ccccc1)c1cnc(-c2ccccn2)cn1.CN(C)CCN(C)c1cnc(-c2ccccn2)cn1.CN(C)CCNc1cnc(-c2ccccn2)cn1.c1ccc(-c2cnc(NCc3ncco3)cn2)nc1.c1ccc(CNc2cnc(-c3ccccn3)cn2)cc1
InChIInChI=1S/C21H23N5O.C20H21N5O.C16H14N4.C15H21N5.2C14H19N5.C13H11N5O.C13H17N5/c1-25(2)13-8-14-26(21(27)17-9-4-3-5-10-17)20-16-23-19(15-24-20)18-11-6-7-12-22-18;1-24(2)12-13-25(20(26)16-8-4-3-5-9-16)19-15-22-18(14-23-19)17-10-6-7-11-21-17;1-2-6-13(7-3-1)10-19-16-12-18-15(11-20-16)14-8-4-5-9-17-14;1-19(2)9-6-10-20(3)15-12-17-14(11-18-15)13-7-4-5-8-16-13;1-18(2)8-9-19(3)14-11-16-13(10-17-14)12-6-4-5-7-15-12;1-19(2)9-5-8-16-14-11-17-13(10-18-14)12-6-3-4-7-15-12;1-2-4-14-10(3-1)11-7-17-12(8-16-11)18-9-13-15-5-6-19-13;1-18(2)8-7-15-13-10-16-12(9-17-13)11-5-3-4-6-14-11/h3-7,9-12,15-16H,8,13-14H2,1-2H3;3-11,14-15H,12-13H2,1-2H3;1-9,11-12H,10H2,(H,19,20);4-5,7-8,11-12H,6,9-10H2,1-3H3;4-7,10-11H,8-9H2,1-3H3;3-4,6-7,10-11H,5,8-9H2,1-2H3,(H,16,18);1-8H,9H2,(H,17,18);3-6,9-10H,7-8H2,1-2H3,(H,15,17)
InChIKeyPXDCDJCBMVEHHA-UHFFFAOYSA-N
MW2253.82 g/mol
LogP18.05
Rot. Bonds43

About N-benzyl-5-pyridin-2-ylpyrazin-2-amine;N-[2-(dimethylamino)ethyl]-N-(5-pyridin-2-ylpyrazin-2-yl)benzamide;N-[3-(dimethylamino)propyl]-N-(5-pyridin-2-ylpyrazin-2-yl)benzamide;N',N'-dimethyl-N-(5-pyridin-2-ylpyrazin-2-yl)ethane-1,2-diamine;N',N'-dimethyl-N-(5-pyridin-2-ylpyrazin-2-yl)propane-1,3-diamine;N-(1,3-oxazol-2-ylmethyl)-5-pyridin-2-ylpyrazin-2-amine;N,N,N'-trimethyl-N'-(5-pyridin-2-ylpyrazin-2-yl)ethane-1,2-diamine;N,N,N'-trimethyl-N'-(5-pyridin-2-ylpyrazin-2-yl)propane-1,3-diamine

N-benzyl-5-pyridin-2-ylpyrazin-2-amine;N-[2-(dimethylamino)ethyl]-N-(5-pyridin-2-ylpyrazin-2-yl)benzamide;N-[3-(dimethylamino)propyl]-N-(5-pyridin-2-ylpyrazin-2-yl)benzamide;N',N'-dimethyl-N-(5-pyridin-2-ylpyrazin-2-yl)ethane-1,2-diamine;N',N'-dimethyl-N-(5-pyridin-2-ylpyrazin-2-yl)propane-1,3-diamine;N-(1,3-oxazol-2-ylmethyl)-5-pyridin-2-ylpyrazin-2-amine;N,N,N'-trimethyl-N'-(5-pyridin-2-ylpyrazin-2-yl)ethane-1,2-diamine;N,N,N'-trimethyl-N'-(5-pyridin-2-ylpyrazin-2-yl)propane-1,3-diamine (PubChem CID 165052595) has the molecular formula C126H145N39O3 and a molecular weight of 2253.82 g/mol. Its IUPAC name is N-benzyl-5-pyridin-2-ylpyrazin-2-amine;N-[2-(dimethylamino)ethyl]-N-(5-pyridin-2-ylpyrazin-2-yl)benzamide;N-[3-(dimethylamino)propyl]-N-(5-pyridin-2-ylpyrazin-2-yl)benzamide;N',N'-dimethyl-N-(5-pyridin-2-ylpyrazin-2-yl)ethane-1,2-diamine;N',N'-dimethyl-N-(5-pyridin-2-ylpyrazin-2-yl)propane-1,3-diamine;N-(1,3-oxazol-2-ylmethyl)-5-pyridin-2-ylpyrazin-2-amine;N,N,N'-trimethyl-N'-(5-pyridin-2-ylpyrazin-2-yl)ethane-1,2-diamine;N,N,N'-trimethyl-N'-(5-pyridin-2-ylpyrazin-2-yl)propane-1,3-diamine.

Molecular Properties

Compound NameN-benzyl-5-pyridin-2-ylpyrazin-2-amine;N-[2-(dimethylamino)ethyl]-N-(5-pyridin-2-ylpyrazin-2-yl)benzamide;N-[3-(dimethylamino)propyl]-N-(5-pyridin-2-ylpyrazin-2-yl)benzamide;N',N'-dimethyl-N-(5-pyridin-2-ylpyrazin-2-yl)ethane-1,2-diamine;N',N'-dimethyl-N-(5-pyridin-2-ylpyrazin-2-yl)propane-1,3-diamine;N-(1,3-oxazol-2-ylmethyl)-5-pyridin-2-ylpyrazin-2-amine;N,N,N'-trimethyl-N'-(5-pyridin-2-ylpyrazin-2-yl)ethane-1,2-diamine;N,N,N'-trimethyl-N'-(5-pyridin-2-ylpyrazin-2-yl)propane-1,3-diamine
PubChem CID165052595
Molecular FormulaC126H145N39O3
Molecular Weight2253.82 g/mol
Exact Mass2252.24
IUPAC NameN-benzyl-5-pyridin-2-ylpyrazin-2-amine;N-[2-(dimethylamino)ethyl]-N-(5-pyridin-2-ylpyrazin-2-yl)benzamide;N-[3-(dimethylamino)propyl]-N-(5-pyridin-2-ylpyrazin-2-yl)benzamide;N',N'-dimethyl-N-(5-pyridin-2-ylpyrazin-2-yl)ethane-1,2-diamine;N',N'-dimethyl-N-(5-pyridin-2-ylpyrazin-2-yl)propane-1,3-diamine;N-(1,3-oxazol-2-ylmethyl)-5-pyridin-2-ylpyrazin-2-amine;N,N,N'-trimethyl-N'-(5-pyridin-2-ylpyrazin-2-yl)ethane-1,2-diamine;N,N,N'-trimethyl-N'-(5-pyridin-2-ylpyrazin-2-yl)propane-1,3-diamine
SMILESCN(C)CCCN(C(=O)c1ccccc1)c1cnc(-c2ccccn2)cn1.CN(C)CCCN(C)c1cnc(-c2ccccn2)cn1.CN(C)CCCNc1cnc(-c2ccccn2)cn1.CN(C)CCN(C(=O)c1ccccc1)c1cnc(-c2ccccn2)cn1.CN(C)CCN(C)c1cnc(-c2ccccn2)cn1.CN(C)CCNc1cnc(-c2ccccn2)cn1.c1ccc(-c2cnc(NCc3ncco3)cn2)nc1.c1ccc(CNc2cnc(-c3ccccn3)cn2)cc1
InChIInChI=1S/C21H23N5O.C20H21N5O.C16H14N4.C15H21N5.2C14H19N5.C13H11N5O.C13H17N5/c1-25(2)13-8-14-26(21(27)17-9-4-3-5-10-17)20-16-23-19(15-24-20)18-11-6-7-12-22-18;1-24(2)12-13-25(20(26)16-8-4-3-5-9-16)19-15-22-18(14-23-19)17-10-6-7-11-21-17;1-2-6-13(7-3-1)10-19-16-12-18-15(11-20-16)14-8-4-5-9-17-14;1-19(2)9-6-10-20(3)15-12-17-14(11-18-15)13-7-4-5-8-16-13;1-18(2)8-9-19(3)14-11-16-13(10-17-14)12-6-4-5-7-15-12;1-19(2)9-5-8-16-14-11-17-13(10-18-14)12-6-3-4-7-15-12;1-2-4-14-10(3-1)11-7-17-12(8-16-11)18-9-13-15-5-6-19-13;1-18(2)8-7-15-13-10-16-12(9-17-13)11-5-3-4-6-14-11/h3-7,9-12,15-16H,8,13-14H2,1-2H3;3-11,14-15H,12-13H2,1-2H3;1-9,11-12H,10H2,(H,19,20);4-5,7-8,11-12H,6,9-10H2,1-3H3;4-7,10-11H,8-9H2,1-3H3;3-4,6-7,10-11H,5,8-9H2,1-2H3,(H,16,18);1-8H,9H2,(H,17,18);3-6,9-10H,7-8H2,1-2H3,(H,15,17)
InChIKeyPXDCDJCBMVEHHA-UHFFFAOYSA-N
XLogP18.05
TPSA450.05 Ų
H-Bond Donors4
H-Bond Acceptors40
Rotatable Bonds43
Heavy Atoms168
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002253.82
LogP ≤ 518.05
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1040

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-benzyl-5-pyridin-2-ylpyrazin-2-amine;N-[2-(dimethylamino)ethyl]-N-(5-pyridin-2-ylpyrazin-2-yl)benzamide;N-[3-(dimethylamino)propyl]-N-(5-pyridin-2-ylpyrazin-2-yl)benzamide;N',N'-dimethyl-N-(5-pyridin-2-ylpyrazin-2-yl)ethane-1,2-diamine;N',N'-dimethyl-N-(5-pyridin-2-ylpyrazin-2-yl)propane-1,3-diamine;N-(1,3-oxazol-2-ylmethyl)-5-pyridin-2-ylpyrazin-2-amine;N,N,N'-trimethyl-N'-(5-pyridin-2-ylpyrazin-2-yl)ethane-1,2-diamine;N,N,N'-trimethyl-N'-(5-pyridin-2-ylpyrazin-2-yl)propane-1,3-diamine with MolForge

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Related Compounds

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N-[5-[5-[2-[4-[6-[5-[[3-[(dimethylamino)methyl]-5-(trifluoromethyl)benzoyl]amino]-2-methylpyridin-3-yl]-3-ethoxypyrazin-2-yl]morpholin-2-yl]ethoxy]-6-morpholin-4-ylpyrazin-2-yl]-6-methylpyridin-3-yl]-4-(trifluoromethyl)pyridine-2-carboxamide
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CID 71208802
2-[4-[[3-(6-amino-5-methyl-3-pyridinyl)-8-oxo-7H-2,7-naphthyridin-1-yl]amino]phenyl]-N,2-dimethylpropanamide;8-[4-[2-[3-(dimethylamino)pyrrolidin-1-yl]ethyl]anilino]-6-(6-methoxypyrazin-2-yl)-2H-2,7-naphthyridin-1-one
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Frequently Asked Questions

What is the IUPAC name of N-benzyl-5-pyridin-2-ylpyrazin-2-amine;N-[2-(dimethylamino)ethyl]-N-(5-pyridin-2-ylpyrazin-2-yl)benzamide;N-[3-(dimethylamino)propyl]-N-(5-pyridin-2-ylpyrazin-2-yl)benzamide;N',N'-dimethyl-N-(5-pyridin-2-ylpyrazin-2-yl)ethane-1,2-diamine;N',N'-dimethyl-N-(5-pyridin-2-ylpyrazin-2-yl)propane-1,3-diamine;N-(1,3-oxazol-2-ylmethyl)-5-pyridin-2-ylpyrazin-2-amine;N,N,N'-trimethyl-N'-(5-pyridin-2-ylpyrazin-2-yl)ethane-1,2-diamine;N,N,N'-trimethyl-N'-(5-pyridin-2-ylpyrazin-2-yl)propane-1,3-diamine?
The IUPAC name of N-benzyl-5-pyridin-2-ylpyrazin-2-amine;N-[2-(dimethylamino)ethyl]-N-(5-pyridin-2-ylpyrazin-2-yl)benzamide;N-[3-(dimethylamino)propyl]-N-(5-pyridin-2-ylpyrazin-2-yl)benzamide;N',N'-dimethyl-N-(5-pyridin-2-ylpyrazin-2-yl)ethane-1,2-diamine;N',N'-dimethyl-N-(5-pyridin-2-ylpyrazin-2-yl)propane-1,3-diamine;N-(1,3-oxazol-2-ylmethyl)-5-pyridin-2-ylpyrazin-2-amine;N,N,N'-trimethyl-N'-(5-pyridin-2-ylpyrazin-2-yl)ethane-1,2-diamine;N,N,N'-trimethyl-N'-(5-pyridin-2-ylpyrazin-2-yl)propane-1,3-diamine (CID 165052595) is N-benzyl-5-pyridin-2-ylpyrazin-2-amine;N-[2-(dimethylamino)ethyl]-N-(5-pyridin-2-ylpyrazin-2-yl)benzamide;N-[3-(dimethylamino)propyl]-N-(5-pyridin-2-ylpyrazin-2-yl)benzamide;N',N'-dimethyl-N-(5-pyridin-2-ylpyrazin-2-yl)ethane-1,2-diamine;N',N'-dimethyl-N-(5-pyridin-2-ylpyrazin-2-yl)propane-1,3-diamine;N-(1,3-oxazol-2-ylmethyl)-5-pyridin-2-ylpyrazin-2-amine;N,N,N'-trimethyl-N'-(5-pyridin-2-ylpyrazin-2-yl)ethane-1,2-diamine;N,N,N'-trimethyl-N'-(5-pyridin-2-ylpyrazin-2-yl)propane-1,3-diamine.
What is the SMILES notation for N-benzyl-5-pyridin-2-ylpyrazin-2-amine;N-[2-(dimethylamino)ethyl]-N-(5-pyridin-2-ylpyrazin-2-yl)benzamide;N-[3-(dimethylamino)propyl]-N-(5-pyridin-2-ylpyrazin-2-yl)benzamide;N',N'-dimethyl-N-(5-pyridin-2-ylpyrazin-2-yl)ethane-1,2-diamine;N',N'-dimethyl-N-(5-pyridin-2-ylpyrazin-2-yl)propane-1,3-diamine;N-(1,3-oxazol-2-ylmethyl)-5-pyridin-2-ylpyrazin-2-amine;N,N,N'-trimethyl-N'-(5-pyridin-2-ylpyrazin-2-yl)ethane-1,2-diamine;N,N,N'-trimethyl-N'-(5-pyridin-2-ylpyrazin-2-yl)propane-1,3-diamine?
The canonical SMILES for N-benzyl-5-pyridin-2-ylpyrazin-2-amine;N-[2-(dimethylamino)ethyl]-N-(5-pyridin-2-ylpyrazin-2-yl)benzamide;N-[3-(dimethylamino)propyl]-N-(5-pyridin-2-ylpyrazin-2-yl)benzamide;N',N'-dimethyl-N-(5-pyridin-2-ylpyrazin-2-yl)ethane-1,2-diamine;N',N'-dimethyl-N-(5-pyridin-2-ylpyrazin-2-yl)propane-1,3-diamine;N-(1,3-oxazol-2-ylmethyl)-5-pyridin-2-ylpyrazin-2-amine;N,N,N'-trimethyl-N'-(5-pyridin-2-ylpyrazin-2-yl)ethane-1,2-diamine;N,N,N'-trimethyl-N'-(5-pyridin-2-ylpyrazin-2-yl)propane-1,3-diamine is CN(C)CCCN(C(=O)c1ccccc1)c1cnc(-c2ccccn2)cn1.CN(C)CCCN(C)c1cnc(-c2ccccn2)cn1.CN(C)CCCNc1cnc(-c2ccccn2)cn1.CN(C)CCN(C(=O)c1ccccc1)c1cnc(-c2ccccn2)cn1.CN(C)CCN(C)c1cnc(-c2ccccn2)cn1.CN(C)CCNc1cnc(-c2ccccn2)cn1.c1ccc(-c2cnc(NCc3ncco3)cn2)nc1.c1ccc(CNc2cnc(-c3ccccn3)cn2)cc1.
What is the InChIKey of N-benzyl-5-pyridin-2-ylpyrazin-2-amine;N-[2-(dimethylamino)ethyl]-N-(5-pyridin-2-ylpyrazin-2-yl)benzamide;N-[3-(dimethylamino)propyl]-N-(5-pyridin-2-ylpyrazin-2-yl)benzamide;N',N'-dimethyl-N-(5-pyridin-2-ylpyrazin-2-yl)ethane-1,2-diamine;N',N'-dimethyl-N-(5-pyridin-2-ylpyrazin-2-yl)propane-1,3-diamine;N-(1,3-oxazol-2-ylmethyl)-5-pyridin-2-ylpyrazin-2-amine;N,N,N'-trimethyl-N'-(5-pyridin-2-ylpyrazin-2-yl)ethane-1,2-diamine;N,N,N'-trimethyl-N'-(5-pyridin-2-ylpyrazin-2-yl)propane-1,3-diamine?
The InChIKey is PXDCDJCBMVEHHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5O.C20H21N5O.C16H14N4.C15H21N5.2C14H19N5.C13H11N5O.C13H17N5/c1-25(2)13-8-14-26(21(27)17-9-4-3-5-10-17)20-16-23-19(15-24-20)18-11-6-7-12-22-18;1-24(2)12-13-25(20(26)16-8-4-3-5-9-16)19-15-22-18(14-23-19)17-10-6-7-11-21-17;1-2-6-13(7-3-1)10-19-16-12-18-15(11-20-16)14-8-4-5-9-17-14;1-19(2)9-6-10-20(3)15-12-17-14(11-18-15)13-7-4-5-8-16-13;1-18(2)8-9-19(3)14-11-16-13(10-17-14)12-6-4-5-7-15-12;1-19(2)9-5-8-16-14-11-17-13(10-18-14)12-6-3-4-7-15-12;1-2-4-14-10(3-1)11-7-17-12(8-16-11)18-9-13-15-5-6-19-13;1-18(2)8-7-15-13-10-16-12(9-17-13)11-5-3-4-6-14-11/h3-7,9-12,15-16H,8,13-14H2,1-2H3;3-11,14-15H,12-13H2,1-2H3;1-9,11-12H,10H2,(H,19,20);4-5,7-8,11-12H,6,9-10H2,1-3H3;4-7,10-11H,8-9H2,1-3H3;3-4,6-7,10-11H,5,8-9H2,1-2H3,(H,16,18);1-8H,9H2,(H,17,18);3-6,9-10H,7-8H2,1-2H3,(H,15,17).
What are the key properties of N-benzyl-5-pyridin-2-ylpyrazin-2-amine;N-[2-(dimethylamino)ethyl]-N-(5-pyridin-2-ylpyrazin-2-yl)benzamide;N-[3-(dimethylamino)propyl]-N-(5-pyridin-2-ylpyrazin-2-yl)benzamide;N',N'-dimethyl-N-(5-pyridin-2-ylpyrazin-2-yl)ethane-1,2-diamine;N',N'-dimethyl-N-(5-pyridin-2-ylpyrazin-2-yl)propane-1,3-diamine;N-(1,3-oxazol-2-ylmethyl)-5-pyridin-2-ylpyrazin-2-amine;N,N,N'-trimethyl-N'-(5-pyridin-2-ylpyrazin-2-yl)ethane-1,2-diamine;N,N,N'-trimethyl-N'-(5-pyridin-2-ylpyrazin-2-yl)propane-1,3-diamine?
N-benzyl-5-pyridin-2-ylpyrazin-2-amine;N-[2-(dimethylamino)ethyl]-N-(5-pyridin-2-ylpyrazin-2-yl)benzamide;N-[3-(dimethylamino)propyl]-N-(5-pyridin-2-ylpyrazin-2-yl)benzamide;N',N'-dimethyl-N-(5-pyridin-2-ylpyrazin-2-yl)ethane-1,2-diamine;N',N'-dimethyl-N-(5-pyridin-2-ylpyrazin-2-yl)propane-1,3-diamine;N-(1,3-oxazol-2-ylmethyl)-5-pyridin-2-ylpyrazin-2-amine;N,N,N'-trimethyl-N'-(5-pyridin-2-ylpyrazin-2-yl)ethane-1,2-diamine;N,N,N'-trimethyl-N'-(5-pyridin-2-ylpyrazin-2-yl)propane-1,3-diamine has a molecular weight of 2253.82 g/mol, XLogP of 18.05, 43 rotatable bonds, 4 hydrogen bond donors, and 40 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-5-pyridin-2-ylpyrazin-2-amine;N-[2-(dimethylamino)ethyl]-N-(5-pyridin-2-ylpyrazin-2-yl)benzamide;N-[3-(dimethylamino)propyl]-N-(5-pyridin-2-ylpyrazin-2-yl)benzamide;N',N'-dimethyl-N-(5-pyridin-2-ylpyrazin-2-yl)ethane-1,2-diamine;N',N'-dimethyl-N-(5-pyridin-2-ylpyrazin-2-yl)propane-1,3-diamine;N-(1,3-oxazol-2-ylmethyl)-5-pyridin-2-ylpyrazin-2-amine;N,N,N'-trimethyl-N'-(5-pyridin-2-ylpyrazin-2-yl)ethane-1,2-diamine;N,N,N'-trimethyl-N'-(5-pyridin-2-ylpyrazin-2-yl)propane-1,3-diamine is sourced from PubChem (CID 165052595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).