5-(4-acetamidoanilino)-N-(pyridin-2-ylmethyl)pyridine-2-carboxamide

C20H19N5O2 — CID 109190978

IUPAC5-(4-acetamidoanilino)-N-(pyridin-2-ylmethyl)pyridine-2-carboxamide
SMILESCC(=O)Nc1ccc(Nc2ccc(C(=O)NCc3ccccn3)nc2)cc1
InChIInChI=1S/C20H19N5O2/c1-14(26)24-15-5-7-16(8-6-15)25-18-9-10-19(22-13-18)20(27)23-12-17-4-2-3-11-21-17/h2-11,13,25H,12H2,1H3,(H,23,27)(H,24,26)
InChIKeyNZCPYVZOPAOAOP-UHFFFAOYSA-N
MW361.41 g/mol
LogP3.11
Rot. Bonds6

About 5-(4-acetamidoanilino)-N-(pyridin-2-ylmethyl)pyridine-2-carboxamide

5-(4-acetamidoanilino)-N-(pyridin-2-ylmethyl)pyridine-2-carboxamide (PubChem CID 109190978) has the molecular formula C20H19N5O2 and a molecular weight of 361.41 g/mol. Its IUPAC name is 5-(4-acetamidoanilino)-N-(pyridin-2-ylmethyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name5-(4-acetamidoanilino)-N-(pyridin-2-ylmethyl)pyridine-2-carboxamide
PubChem CID109190978
Molecular FormulaC20H19N5O2
Molecular Weight361.41 g/mol
Exact Mass361.15
IUPAC Name5-(4-acetamidoanilino)-N-(pyridin-2-ylmethyl)pyridine-2-carboxamide
SMILESCC(=O)Nc1ccc(Nc2ccc(C(=O)NCc3ccccn3)nc2)cc1
InChIInChI=1S/C20H19N5O2/c1-14(26)24-15-5-7-16(8-6-15)25-18-9-10-19(22-13-18)20(27)23-12-17-4-2-3-11-21-17/h2-11,13,25H,12H2,1H3,(H,23,27)(H,24,26)
InChIKeyNZCPYVZOPAOAOP-UHFFFAOYSA-N
XLogP3.11
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 ≤ 53.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

5-[4-(diethylamino)anilino]-N-(pyridin-2-ylmethyl)pyridine-2-carboxamide
CID 109190984
5-(3,4-dichloroanilino)-N-(pyridin-2-ylmethyl)pyridine-2-carboxamide
CID 109191005
5-(3,4-difluoroanilino)-N-(pyridin-2-ylmethyl)pyridine-2-carboxamide
CID 109191021
5-(4-acetamidoanilino)-N-(pyridin-4-ylmethyl)pyridine-2-carboxamide
CID 109191552
N-(pyridin-2-ylmethyl)-5-(2,4,6-trimethylanilino)pyridine-2-carboxamide
CID 109190941
N-(pyridin-2-ylmethyl)-5-(3,4,5-trimethoxyanilino)pyridine-2-carboxamide
CID 109191002
5-(2,4-dimethylanilino)-N-(pyridin-2-ylmethyl)pyridine-2-carboxamide
CID 109190929
N-(3-acetamidophenyl)-5-(pyridin-2-ylmethylamino)pyridine-2-carboxamide
CID 109191121
5-(4-acetamidoanilino)-N-[(4-chlorophenyl)methyl]pyridine-2-carboxamide
CID 109190050
N-benzyl-5-(pyridin-2-ylmethylamino)pyridine-2-carboxamide
CID 109187835
ethyl 2-[[6-(pyridin-2-ylmethylcarbamoyl)-3-pyridinyl]amino]benzoate
CID 109191014
5-(4-acetamidoanilino)-N-prop-2-enylpyridine-2-carboxamide
CID 109180372

Frequently Asked Questions

What is the IUPAC name of 5-(4-acetamidoanilino)-N-(pyridin-2-ylmethyl)pyridine-2-carboxamide?
The IUPAC name of 5-(4-acetamidoanilino)-N-(pyridin-2-ylmethyl)pyridine-2-carboxamide (CID 109190978) is 5-(4-acetamidoanilino)-N-(pyridin-2-ylmethyl)pyridine-2-carboxamide.
What is the SMILES notation for 5-(4-acetamidoanilino)-N-(pyridin-2-ylmethyl)pyridine-2-carboxamide?
The canonical SMILES for 5-(4-acetamidoanilino)-N-(pyridin-2-ylmethyl)pyridine-2-carboxamide is CC(=O)Nc1ccc(Nc2ccc(C(=O)NCc3ccccn3)nc2)cc1.
What is the InChIKey of 5-(4-acetamidoanilino)-N-(pyridin-2-ylmethyl)pyridine-2-carboxamide?
The InChIKey is NZCPYVZOPAOAOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N5O2/c1-14(26)24-15-5-7-16(8-6-15)25-18-9-10-19(22-13-18)20(27)23-12-17-4-2-3-11-21-17/h2-11,13,25H,12H2,1H3,(H,23,27)(H,24,26).
What are the key properties of 5-(4-acetamidoanilino)-N-(pyridin-2-ylmethyl)pyridine-2-carboxamide?
5-(4-acetamidoanilino)-N-(pyridin-2-ylmethyl)pyridine-2-carboxamide has a molecular weight of 361.41 g/mol, XLogP of 3.11, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-acetamidoanilino)-N-(pyridin-2-ylmethyl)pyridine-2-carboxamide is sourced from PubChem (CID 109190978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).