N-(3-acetamidophenyl)-5-(pyridin-2-ylmethylamino)pyridine-2-carboxamide

C20H19N5O2 — CID 109191121

IUPACN-(3-acetamidophenyl)-5-(pyridin-2-ylmethylamino)pyridine-2-carboxamide
SMILESCC(=O)Nc1cccc(NC(=O)c2ccc(NCc3ccccn3)cn2)c1
InChIInChI=1S/C20H19N5O2/c1-14(26)24-15-6-4-7-16(11-15)25-20(27)19-9-8-18(13-23-19)22-12-17-5-2-3-10-21-17/h2-11,13,22H,12H2,1H3,(H,24,26)(H,25,27)
InChIKeyQORVDIHTMVILOA-UHFFFAOYSA-N
MW361.41 g/mol
LogP3.30
Rot. Bonds6

About N-(3-acetamidophenyl)-5-(pyridin-2-ylmethylamino)pyridine-2-carboxamide

N-(3-acetamidophenyl)-5-(pyridin-2-ylmethylamino)pyridine-2-carboxamide (PubChem CID 109191121) has the molecular formula C20H19N5O2 and a molecular weight of 361.41 g/mol. Its IUPAC name is N-(3-acetamidophenyl)-5-(pyridin-2-ylmethylamino)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(3-acetamidophenyl)-5-(pyridin-2-ylmethylamino)pyridine-2-carboxamide
PubChem CID109191121
Molecular FormulaC20H19N5O2
Molecular Weight361.41 g/mol
Exact Mass361.15
IUPAC NameN-(3-acetamidophenyl)-5-(pyridin-2-ylmethylamino)pyridine-2-carboxamide
SMILESCC(=O)Nc1cccc(NC(=O)c2ccc(NCc3ccccn3)cn2)c1
InChIInChI=1S/C20H19N5O2/c1-14(26)24-15-6-4-7-16(11-15)25-20(27)19-9-8-18(13-23-19)22-12-17-5-2-3-10-21-17/h2-11,13,22H,12H2,1H3,(H,24,26)(H,25,27)
InChIKeyQORVDIHTMVILOA-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-(3-chlorophenyl)-5-(pyridin-2-ylmethylamino)pyridine-2-carboxamide
CID 109191093
N-(3,4-dimethylphenyl)-5-(pyridin-2-ylmethylamino)pyridine-2-carboxamide
CID 109191075
5-(4-acetamidoanilino)-N-(pyridin-2-ylmethyl)pyridine-2-carboxamide
CID 109190978
5-(pyridin-2-ylmethylamino)-N-quinolin-8-ylpyridine-2-carboxamide
CID 109191143
N-(2,4-difluorophenyl)-5-(pyridin-2-ylmethylamino)pyridine-2-carboxamide
CID 109191145
N-benzyl-5-(pyridin-2-ylmethylamino)pyridine-2-carboxamide
CID 109187835
N-[3-(pyridin-2-ylmethylamino)phenyl]propanamide
CID 28662122
3-acetamido-N-(pyridin-2-ylmethyl)benzamide
CID 13177095
N-(4-piperidin-1-ylphenyl)-5-(pyridin-2-ylmethylamino)pyridine-2-carboxamide
CID 109191130
N-(3-acetamidophenyl)-2-pyridin-2-ylacetamide
CID 110697004
N-cyclohexyl-5-(pyridin-2-ylmethylamino)pyridine-2-carboxamide
CID 109182931
N-(4-methylphenyl)-4-(pyridin-2-ylmethylamino)pyridine-2-carboxamide
CID 109212856

Frequently Asked Questions

What is the IUPAC name of N-(3-acetamidophenyl)-5-(pyridin-2-ylmethylamino)pyridine-2-carboxamide?
The IUPAC name of N-(3-acetamidophenyl)-5-(pyridin-2-ylmethylamino)pyridine-2-carboxamide (CID 109191121) is N-(3-acetamidophenyl)-5-(pyridin-2-ylmethylamino)pyridine-2-carboxamide.
What is the SMILES notation for N-(3-acetamidophenyl)-5-(pyridin-2-ylmethylamino)pyridine-2-carboxamide?
The canonical SMILES for N-(3-acetamidophenyl)-5-(pyridin-2-ylmethylamino)pyridine-2-carboxamide is CC(=O)Nc1cccc(NC(=O)c2ccc(NCc3ccccn3)cn2)c1.
What is the InChIKey of N-(3-acetamidophenyl)-5-(pyridin-2-ylmethylamino)pyridine-2-carboxamide?
The InChIKey is QORVDIHTMVILOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N5O2/c1-14(26)24-15-6-4-7-16(11-15)25-20(27)19-9-8-18(13-23-19)22-12-17-5-2-3-10-21-17/h2-11,13,22H,12H2,1H3,(H,24,26)(H,25,27).
What are the key properties of N-(3-acetamidophenyl)-5-(pyridin-2-ylmethylamino)pyridine-2-carboxamide?
N-(3-acetamidophenyl)-5-(pyridin-2-ylmethylamino)pyridine-2-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-(3-acetamidophenyl)-5-(pyridin-2-ylmethylamino)pyridine-2-carboxamide is sourced from PubChem (CID 109191121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).