N-(4-acetamidophenyl)-6-(pyridin-3-ylmethylamino)pyridine-3-carboxamide

C20H19N5O2 — CID 109157895

IUPACN-(4-acetamidophenyl)-6-(pyridin-3-ylmethylamino)pyridine-3-carboxamide
SMILESCC(=O)Nc1ccc(NC(=O)c2ccc(NCc3cccnc3)nc2)cc1
InChIInChI=1S/C20H19N5O2/c1-14(26)24-17-5-7-18(8-6-17)25-20(27)16-4-9-19(23-13-16)22-12-15-3-2-10-21-11-15/h2-11,13H,12H2,1H3,(H,22,23)(H,24,26)(H,25,27)
InChIKeyXGOBCKPYOFHUAL-UHFFFAOYSA-N
MW361.41 g/mol
LogP3.30
Rot. Bonds6

About N-(4-acetamidophenyl)-6-(pyridin-3-ylmethylamino)pyridine-3-carboxamide

N-(4-acetamidophenyl)-6-(pyridin-3-ylmethylamino)pyridine-3-carboxamide (PubChem CID 109157895) has the molecular formula C20H19N5O2 and a molecular weight of 361.41 g/mol. Its IUPAC name is N-(4-acetamidophenyl)-6-(pyridin-3-ylmethylamino)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(4-acetamidophenyl)-6-(pyridin-3-ylmethylamino)pyridine-3-carboxamide
PubChem CID109157895
Molecular FormulaC20H19N5O2
Molecular Weight361.41 g/mol
Exact Mass361.15
IUPAC NameN-(4-acetamidophenyl)-6-(pyridin-3-ylmethylamino)pyridine-3-carboxamide
SMILESCC(=O)Nc1ccc(NC(=O)c2ccc(NCc3cccnc3)nc2)cc1
InChIInChI=1S/C20H19N5O2/c1-14(26)24-17-5-7-18(8-6-17)25-20(27)16-4-9-19(23-13-16)22-12-15-3-2-10-21-11-15/h2-11,13H,12H2,1H3,(H,22,23)(H,24,26)(H,25,27)
InChIKeyXGOBCKPYOFHUAL-UHFFFAOYSA-N
XLogP3.30
TPSA96.01 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.41
LogP ≤ 53.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-tert-butylphenyl)-6-(pyridin-3-ylmethylamino)pyridine-3-carboxamide
CID 109157873
6-(4-acetamidoanilino)-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide
CID 109157985
N-(3,4-dimethoxyphenyl)-6-(pyridin-3-ylmethylamino)pyridine-3-carboxamide
CID 109157890
4-N-(4-acetamidophenyl)-1-N-(pyridin-3-ylmethyl)benzene-1,4-dicarboxamide
CID 109047706
N-(4-acetamidophenyl)-6-[(4-chlorophenyl)methylamino]pyridine-3-carboxamide
CID 109156954
6-(pyridin-3-ylmethylamino)-N-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide
CID 109157892
6-(pyridin-3-ylmethylamino)-N-quinolin-8-ylpyridine-3-carboxamide
CID 109157913
3-fluoro-N-[6-(pyridin-3-ylmethylamino)-3-pyridinyl]benzamide
CID 113012780
N-(2-bromo-4-methylphenyl)-6-(pyridin-3-ylmethylamino)pyridine-3-carboxamide
CID 109157908
N-(2,4-dichlorophenyl)-6-(pyridin-3-ylmethylamino)pyridine-3-carboxamide
CID 109157918
N-phenyl-2-(pyridin-3-ylmethylamino)pyrimidine-5-carboxamide
CID 109258997
N-(4-acetamidophenyl)pyridine-3-carboxamide
CID 766053

Frequently Asked Questions

What is the IUPAC name of N-(4-acetamidophenyl)-6-(pyridin-3-ylmethylamino)pyridine-3-carboxamide?
The IUPAC name of N-(4-acetamidophenyl)-6-(pyridin-3-ylmethylamino)pyridine-3-carboxamide (CID 109157895) is N-(4-acetamidophenyl)-6-(pyridin-3-ylmethylamino)pyridine-3-carboxamide.
What is the SMILES notation for N-(4-acetamidophenyl)-6-(pyridin-3-ylmethylamino)pyridine-3-carboxamide?
The canonical SMILES for N-(4-acetamidophenyl)-6-(pyridin-3-ylmethylamino)pyridine-3-carboxamide is CC(=O)Nc1ccc(NC(=O)c2ccc(NCc3cccnc3)nc2)cc1.
What is the InChIKey of N-(4-acetamidophenyl)-6-(pyridin-3-ylmethylamino)pyridine-3-carboxamide?
The InChIKey is XGOBCKPYOFHUAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N5O2/c1-14(26)24-17-5-7-18(8-6-17)25-20(27)16-4-9-19(23-13-16)22-12-15-3-2-10-21-11-15/h2-11,13H,12H2,1H3,(H,22,23)(H,24,26)(H,25,27).
What are the key properties of N-(4-acetamidophenyl)-6-(pyridin-3-ylmethylamino)pyridine-3-carboxamide?
N-(4-acetamidophenyl)-6-(pyridin-3-ylmethylamino)pyridine-3-carboxamide has a molecular weight of 361.41 g/mol, XLogP of 3.30, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetamidophenyl)-6-(pyridin-3-ylmethylamino)pyridine-3-carboxamide is sourced from PubChem (CID 109157895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).