N-[5-[2-[(6-amino-5-methyl-2-pyridinyl)amino]ethylamino]-3-(2,4-dichlorophenyl)pyrazin-2-yl]acetamide

C20H21Cl2N7O — CID 21354466

IUPACN-[5-[2-[(6-amino-5-methyl-2-pyridinyl)amino]ethylamino]-3-(2,4-dichlorophenyl)pyrazin-2-yl]acetamide
SMILESCC(=O)Nc1ncc(NCCNc2ccc(C)c(N)n2)nc1-c1ccc(Cl)cc1Cl
InChIInChI=1S/C20H21Cl2N7O/c1-11-3-6-16(29-19(11)23)24-7-8-25-17-10-26-20(27-12(2)30)18(28-17)14-5-4-13(21)9-15(14)22/h3-6,9-10H,7-8H2,1-2H3,(H,25,28)(H3,23,24,29)(H,26,27,30)
InChIKeyUDOLLIWQMBPTAR-UHFFFAOYSA-N
MW446.34 g/mol
LogP4.22
Rot. Bonds7

About N-[5-[2-[(6-amino-5-methyl-2-pyridinyl)amino]ethylamino]-3-(2,4-dichlorophenyl)pyrazin-2-yl]acetamide

N-[5-[2-[(6-amino-5-methyl-2-pyridinyl)amino]ethylamino]-3-(2,4-dichlorophenyl)pyrazin-2-yl]acetamide (PubChem CID 21354466) has the molecular formula C20H21Cl2N7O and a molecular weight of 446.34 g/mol. Its IUPAC name is N-[5-[2-[(6-amino-5-methyl-2-pyridinyl)amino]ethylamino]-3-(2,4-dichlorophenyl)pyrazin-2-yl]acetamide.

Molecular Properties

Compound NameN-[5-[2-[(6-amino-5-methyl-2-pyridinyl)amino]ethylamino]-3-(2,4-dichlorophenyl)pyrazin-2-yl]acetamide
PubChem CID21354466
Molecular FormulaC20H21Cl2N7O
Molecular Weight446.34 g/mol
Exact Mass445.12
IUPAC NameN-[5-[2-[(6-amino-5-methyl-2-pyridinyl)amino]ethylamino]-3-(2,4-dichlorophenyl)pyrazin-2-yl]acetamide
SMILESCC(=O)Nc1ncc(NCCNc2ccc(C)c(N)n2)nc1-c1ccc(Cl)cc1Cl
InChIInChI=1S/C20H21Cl2N7O/c1-11-3-6-16(29-19(11)23)24-7-8-25-17-10-26-20(27-12(2)30)18(28-17)14-5-4-13(21)9-15(14)22/h3-6,9-10H,7-8H2,1-2H3,(H,25,28)(H3,23,24,29)(H,26,27,30)
InChIKeyUDOLLIWQMBPTAR-UHFFFAOYSA-N
XLogP4.22
TPSA117.85 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.34
LogP ≤ 54.22
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze N-[5-[2-[(6-amino-5-methyl-2-pyridinyl)amino]ethylamino]-3-(2,4-dichlorophenyl)pyrazin-2-yl]acetamide with MolForge

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Related Compounds

4-N-[(2,4-dichlorophenyl)methyl]-2-N-methyl-6-pyridin-2-ylpyrimidine-2,4-diamine
CID 86277841
2-aminopyrido[2,3-d]pyrimidin-7(8H)-one 34
CID 5327881
6-(2,6-Dichlorophenyl)-8-methyl-2-(pyridin-3-ylamino)-8H-pyrido[2,3-d]pyrimidin-7-one
CID 5327887
3-(2,6-Dichlorophenyl)-1-methyl-7-{[3-(4-methylpiperazin-1-yl)propyl]amino}-1,2-dihydro-1,6-naphthyridin-2-one
CID 5328707
3-(2,6-Dichlorophenyl)-1-methyl-7-{[4-(4-methylpiperazin-1-yl)butyl]amino}-1,2-dihydro-1,6-naphthyridin-2-one
CID 5328708
3-(2,6-Dichlorophenyl)-1-methyl-7-{[5-(4-methylpiperazin-1-yl)pentyl]amino}-1,2-dihydro-1,6-naphthyridin-2-one
CID 5328709
Pyrazine-Pyridine Biheteroaryl 38
CID 5330368
Pyrazine-Pyridine Biheteroaryl 40
CID 5330369
Pyrazine-Pyridine Biheteroaryl 44
CID 5330372
Pyrazine-Pyridine Biheteroaryl 45
CID 5330373
Pyrazine-Pyridine Biheteroaryl 46
CID 5330374
3-((5-(6-((3-Chlorophenyl)amino)pyrazinyl)-3-pyridinyl)amino)-1-propanol
CID 5330387

Frequently Asked Questions

What is the IUPAC name of N-[5-[2-[(6-amino-5-methyl-2-pyridinyl)amino]ethylamino]-3-(2,4-dichlorophenyl)pyrazin-2-yl]acetamide?
The IUPAC name of N-[5-[2-[(6-amino-5-methyl-2-pyridinyl)amino]ethylamino]-3-(2,4-dichlorophenyl)pyrazin-2-yl]acetamide (CID 21354466) is N-[5-[2-[(6-amino-5-methyl-2-pyridinyl)amino]ethylamino]-3-(2,4-dichlorophenyl)pyrazin-2-yl]acetamide.
What is the SMILES notation for N-[5-[2-[(6-amino-5-methyl-2-pyridinyl)amino]ethylamino]-3-(2,4-dichlorophenyl)pyrazin-2-yl]acetamide?
The canonical SMILES for N-[5-[2-[(6-amino-5-methyl-2-pyridinyl)amino]ethylamino]-3-(2,4-dichlorophenyl)pyrazin-2-yl]acetamide is CC(=O)Nc1ncc(NCCNc2ccc(C)c(N)n2)nc1-c1ccc(Cl)cc1Cl.
What is the InChIKey of N-[5-[2-[(6-amino-5-methyl-2-pyridinyl)amino]ethylamino]-3-(2,4-dichlorophenyl)pyrazin-2-yl]acetamide?
The InChIKey is UDOLLIWQMBPTAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21Cl2N7O/c1-11-3-6-16(29-19(11)23)24-7-8-25-17-10-26-20(27-12(2)30)18(28-17)14-5-4-13(21)9-15(14)22/h3-6,9-10H,7-8H2,1-2H3,(H,25,28)(H3,23,24,29)(H,26,27,30).
What are the key properties of N-[5-[2-[(6-amino-5-methyl-2-pyridinyl)amino]ethylamino]-3-(2,4-dichlorophenyl)pyrazin-2-yl]acetamide?
N-[5-[2-[(6-amino-5-methyl-2-pyridinyl)amino]ethylamino]-3-(2,4-dichlorophenyl)pyrazin-2-yl]acetamide has a molecular weight of 446.34 g/mol, XLogP of 4.22, 7 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[2-[(6-amino-5-methyl-2-pyridinyl)amino]ethylamino]-3-(2,4-dichlorophenyl)pyrazin-2-yl]acetamide is sourced from PubChem (CID 21354466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).