N-(3-acetamidophenyl)-4-(pyridin-3-ylmethylamino)pyridine-2-carboxamide

C20H19N5O2 — CID 109213194

IUPACN-(3-acetamidophenyl)-4-(pyridin-3-ylmethylamino)pyridine-2-carboxamide
SMILESCC(=O)Nc1cccc(NC(=O)c2cc(NCc3cccnc3)ccn2)c1
InChIInChI=1S/C20H19N5O2/c1-14(26)24-17-5-2-6-18(10-17)25-20(27)19-11-16(7-9-22-19)23-13-15-4-3-8-21-12-15/h2-12H,13H2,1H3,(H,22,23)(H,24,26)(H,25,27)
InChIKeyDHIZRUQVJGZVKC-UHFFFAOYSA-N
MW361.41 g/mol
LogP3.30
Rot. Bonds6

About N-(3-acetamidophenyl)-4-(pyridin-3-ylmethylamino)pyridine-2-carboxamide

N-(3-acetamidophenyl)-4-(pyridin-3-ylmethylamino)pyridine-2-carboxamide (PubChem CID 109213194) has the molecular formula C20H19N5O2 and a molecular weight of 361.41 g/mol. Its IUPAC name is N-(3-acetamidophenyl)-4-(pyridin-3-ylmethylamino)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(3-acetamidophenyl)-4-(pyridin-3-ylmethylamino)pyridine-2-carboxamide
PubChem CID109213194
Molecular FormulaC20H19N5O2
Molecular Weight361.41 g/mol
Exact Mass361.15
IUPAC NameN-(3-acetamidophenyl)-4-(pyridin-3-ylmethylamino)pyridine-2-carboxamide
SMILESCC(=O)Nc1cccc(NC(=O)c2cc(NCc3cccnc3)ccn2)c1
InChIInChI=1S/C20H19N5O2/c1-14(26)24-17-5-2-6-18(10-17)25-20(27)19-11-16(7-9-22-19)23-13-15-4-3-8-21-12-15/h2-12H,13H2,1H3,(H,22,23)(H,24,26)(H,25,27)
InChIKeyDHIZRUQVJGZVKC-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-methylphenyl)-4-(pyridin-3-ylmethylamino)pyridine-2-carboxamide
CID 109213141
N-phenyl-4-(pyridin-3-ylmethylamino)pyridine-2-carboxamide
CID 109213139
N-(3-acetamidophenyl)-4-[(4-chlorophenyl)methylamino]pyridine-2-carboxamide
CID 109211921
N-(3-chloro-4-methylphenyl)-4-(pyridin-3-ylmethylamino)pyridine-2-carboxamide
CID 109213171
N-(4-fluorophenyl)-4-(pyridin-3-ylmethylamino)pyridine-2-carboxamide
CID 109213164
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(pyridin-3-ylmethylamino)pyridine-2-carboxamide
CID 109213214
methyl 4-(pyridin-3-ylmethylamino)pyridine-2-carboxylate
CID 66008856
N-(2-bromo-4-methylphenyl)-4-(pyridin-3-ylmethylamino)pyridine-2-carboxamide
CID 109213210
N-(4-piperidin-1-ylphenyl)-4-(pyridin-3-ylmethylamino)pyridine-2-carboxamide
CID 109213203
2,4-dichloro-N-[3-(pyridin-3-ylmethylamino)phenyl]benzamide
CID 1254200
N-(3-acetylphenyl)-4-[(4-chlorophenyl)methylamino]pyridine-2-carboxamide
CID 109211919
N-[3-(pyrimidin-5-ylmethylamino)phenyl]acetamide
CID 55110274

Frequently Asked Questions

What is the IUPAC name of N-(3-acetamidophenyl)-4-(pyridin-3-ylmethylamino)pyridine-2-carboxamide?
The IUPAC name of N-(3-acetamidophenyl)-4-(pyridin-3-ylmethylamino)pyridine-2-carboxamide (CID 109213194) is N-(3-acetamidophenyl)-4-(pyridin-3-ylmethylamino)pyridine-2-carboxamide.
What is the SMILES notation for N-(3-acetamidophenyl)-4-(pyridin-3-ylmethylamino)pyridine-2-carboxamide?
The canonical SMILES for N-(3-acetamidophenyl)-4-(pyridin-3-ylmethylamino)pyridine-2-carboxamide is CC(=O)Nc1cccc(NC(=O)c2cc(NCc3cccnc3)ccn2)c1.
What is the InChIKey of N-(3-acetamidophenyl)-4-(pyridin-3-ylmethylamino)pyridine-2-carboxamide?
The InChIKey is DHIZRUQVJGZVKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N5O2/c1-14(26)24-17-5-2-6-18(10-17)25-20(27)19-11-16(7-9-22-19)23-13-15-4-3-8-21-12-15/h2-12H,13H2,1H3,(H,22,23)(H,24,26)(H,25,27).
What are the key properties of N-(3-acetamidophenyl)-4-(pyridin-3-ylmethylamino)pyridine-2-carboxamide?
N-(3-acetamidophenyl)-4-(pyridin-3-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)-4-(pyridin-3-ylmethylamino)pyridine-2-carboxamide is sourced from PubChem (CID 109213194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).