N-[3-(dimethylamino)propyl]-5-(4-piperidin-1-ylanilino)pyrazine-2-carboxamide

C21H30N6O — CID 109277864

IUPACN-[3-(dimethylamino)propyl]-5-(4-piperidin-1-ylanilino)pyrazine-2-carboxamide
SMILESCN(C)CCCNC(=O)c1cnc(Nc2ccc(N3CCCCC3)cc2)cn1
InChIInChI=1S/C21H30N6O/c1-26(2)12-6-11-22-21(28)19-15-24-20(16-23-19)25-17-7-9-18(10-8-17)27-13-4-3-5-14-27/h7-10,15-16H,3-6,11-14H2,1-2H3,(H,22,28)(H,24,25)
InChIKeyYMMHSXHOQQLKAZ-UHFFFAOYSA-N
MW382.51 g/mol
LogP2.89
Rot. Bonds8

About N-[3-(dimethylamino)propyl]-5-(4-piperidin-1-ylanilino)pyrazine-2-carboxamide

N-[3-(dimethylamino)propyl]-5-(4-piperidin-1-ylanilino)pyrazine-2-carboxamide (PubChem CID 109277864) has the molecular formula C21H30N6O and a molecular weight of 382.51 g/mol. Its IUPAC name is N-[3-(dimethylamino)propyl]-5-(4-piperidin-1-ylanilino)pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[3-(dimethylamino)propyl]-5-(4-piperidin-1-ylanilino)pyrazine-2-carboxamide
PubChem CID109277864
Molecular FormulaC21H30N6O
Molecular Weight382.51 g/mol
Exact Mass382.25
IUPAC NameN-[3-(dimethylamino)propyl]-5-(4-piperidin-1-ylanilino)pyrazine-2-carboxamide
SMILESCN(C)CCCNC(=O)c1cnc(Nc2ccc(N3CCCCC3)cc2)cn1
InChIInChI=1S/C21H30N6O/c1-26(2)12-6-11-22-21(28)19-15-24-20(16-23-19)25-17-7-9-18(10-8-17)27-13-4-3-5-14-27/h7-10,15-16H,3-6,11-14H2,1-2H3,(H,22,28)(H,24,25)
InChIKeyYMMHSXHOQQLKAZ-UHFFFAOYSA-N
XLogP2.89
TPSA73.39 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.51
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-[3-(dimethylamino)propylamino]-N-(4-pyrrolidin-1-ylphenyl)pyrazine-2-carboxamide
CID 109278032
N-[3-(dimethylamino)propyl]-5-piperidin-1-ylpyridine-2-carboxamide
CID 109182724
N-[2-(dimethylamino)ethyl]-5-(4-pyrrolidin-1-ylanilino)pyridine-2-carboxamide
CID 109185416
N-butyl-N-methyl-5-(4-pyrrolidin-1-ylanilino)pyrazine-2-carboxamide
CID 109288302
N-[3-(dimethylamino)propyl]-5-(4-methoxyanilino)pyrazine-2-carboxamide
CID 109277841
N,N-dipropyl-5-(4-pyrrolidin-1-ylanilino)pyrazine-2-carboxamide
CID 109288967
N,N-diethyl-5-(4-pyrrolidin-1-ylanilino)pyrazine-2-carboxamide
CID 109286810
N-[3-(dimethylamino)propyl]-5-(3,4-dimethylanilino)pyrazine-2-carboxamide
CID 109277809
N-[2-(dimethylamino)ethyl]-6-(4-pyrrolidin-1-ylanilino)pyrimidine-4-carboxamide
CID 109344367
N-[3-(dimethylamino)propyl]-5-(4-pyrrolidin-1-ylanilino)pyridine-3-carboxamide
CID 109229852
N-butan-2-yl-5-(4-piperidin-1-ylanilino)pyrazine-2-carboxamide
CID 109273265
N-(pyridin-4-ylmethyl)-5-(4-pyrrolidin-1-ylanilino)pyrazine-2-carboxamide
CID 109283603

Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylamino)propyl]-5-(4-piperidin-1-ylanilino)pyrazine-2-carboxamide?
The IUPAC name of N-[3-(dimethylamino)propyl]-5-(4-piperidin-1-ylanilino)pyrazine-2-carboxamide (CID 109277864) is N-[3-(dimethylamino)propyl]-5-(4-piperidin-1-ylanilino)pyrazine-2-carboxamide.
What is the SMILES notation for N-[3-(dimethylamino)propyl]-5-(4-piperidin-1-ylanilino)pyrazine-2-carboxamide?
The canonical SMILES for N-[3-(dimethylamino)propyl]-5-(4-piperidin-1-ylanilino)pyrazine-2-carboxamide is CN(C)CCCNC(=O)c1cnc(Nc2ccc(N3CCCCC3)cc2)cn1.
What is the InChIKey of N-[3-(dimethylamino)propyl]-5-(4-piperidin-1-ylanilino)pyrazine-2-carboxamide?
The InChIKey is YMMHSXHOQQLKAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N6O/c1-26(2)12-6-11-22-21(28)19-15-24-20(16-23-19)25-17-7-9-18(10-8-17)27-13-4-3-5-14-27/h7-10,15-16H,3-6,11-14H2,1-2H3,(H,22,28)(H,24,25).
What are the key properties of N-[3-(dimethylamino)propyl]-5-(4-piperidin-1-ylanilino)pyrazine-2-carboxamide?
N-[3-(dimethylamino)propyl]-5-(4-piperidin-1-ylanilino)pyrazine-2-carboxamide has a molecular weight of 382.51 g/mol, XLogP of 2.89, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethylamino)propyl]-5-(4-piperidin-1-ylanilino)pyrazine-2-carboxamide is sourced from PubChem (CID 109277864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).