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

C20H19N5O2 — CID 109191552

IUPAC5-(4-acetamidoanilino)-N-(pyridin-4-ylmethyl)pyridine-2-carboxamide
SMILESCC(=O)Nc1ccc(Nc2ccc(C(=O)NCc3ccncc3)nc2)cc1
InChIInChI=1S/C20H19N5O2/c1-14(26)24-16-2-4-17(5-3-16)25-18-6-7-19(22-13-18)20(27)23-12-15-8-10-21-11-9-15/h2-11,13,25H,12H2,1H3,(H,23,27)(H,24,26)
InChIKeyDIVXSAAQIQQBTB-UHFFFAOYSA-N
MW361.41 g/mol
LogP3.11
Rot. Bonds6

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

5-(4-acetamidoanilino)-N-(pyridin-4-ylmethyl)pyridine-2-carboxamide (PubChem CID 109191552) has the molecular formula C20H19N5O2 and a molecular weight of 361.41 g/mol. Its IUPAC name is 5-(4-acetamidoanilino)-N-(pyridin-4-ylmethyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name5-(4-acetamidoanilino)-N-(pyridin-4-ylmethyl)pyridine-2-carboxamide
PubChem CID109191552
Molecular FormulaC20H19N5O2
Molecular Weight361.41 g/mol
Exact Mass361.15
IUPAC Name5-(4-acetamidoanilino)-N-(pyridin-4-ylmethyl)pyridine-2-carboxamide
SMILESCC(=O)Nc1ccc(Nc2ccc(C(=O)NCc3ccncc3)nc2)cc1
InChIInChI=1S/C20H19N5O2/c1-14(26)24-16-2-4-17(5-3-16)25-18-6-7-19(22-13-18)20(27)23-12-15-8-10-21-11-9-15/h2-11,13,25H,12H2,1H3,(H,23,27)(H,24,26)
InChIKeyDIVXSAAQIQQBTB-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-acetamidoanilino)-N-[(4-chlorophenyl)methyl]pyridine-2-carboxamide
CID 109190050
5-(4-bromoanilino)-N-(pyridin-4-ylmethyl)pyridine-2-carboxamide
CID 109191533
5-(4-acetamidoanilino)-N-(pyridin-2-ylmethyl)pyridine-2-carboxamide
CID 109190978
5-hydrazinyl-N-(pyridin-4-ylmethyl)pyridine-2-carboxamide
CID 104642246
5-(3-methoxyanilino)-N-(pyridin-4-ylmethyl)pyridine-2-carboxamide
CID 109191536
5-anilino-N-benzylpyridine-2-carboxamide
CID 109187879
5-(4-acetamidoanilino)-N-prop-2-enylpyridine-2-carboxamide
CID 109180372
5-[(5-methyl-1,2-oxazol-3-yl)amino]-N-(pyridin-4-ylmethyl)pyridine-2-carboxamide
CID 109191596
5-(4-acetylanilino)-N-[(4-methylphenyl)methyl]pyridine-2-carboxamide
CID 109188694
N-[(4-methoxyphenyl)methyl]-5-(pyridin-4-ylmethylamino)pyridine-2-carboxamide
CID 109190359
4-(4-acetamidoanilino)-N-[(4-fluorophenyl)methyl]pyridine-2-carboxamide
CID 109211464
5-(2-methoxy-5-methylanilino)-N-(pyridin-4-ylmethyl)pyridine-2-carboxamide
CID 109191540

Frequently Asked Questions

What is the IUPAC name of 5-(4-acetamidoanilino)-N-(pyridin-4-ylmethyl)pyridine-2-carboxamide?
The IUPAC name of 5-(4-acetamidoanilino)-N-(pyridin-4-ylmethyl)pyridine-2-carboxamide (CID 109191552) is 5-(4-acetamidoanilino)-N-(pyridin-4-ylmethyl)pyridine-2-carboxamide.
What is the SMILES notation for 5-(4-acetamidoanilino)-N-(pyridin-4-ylmethyl)pyridine-2-carboxamide?
The canonical SMILES for 5-(4-acetamidoanilino)-N-(pyridin-4-ylmethyl)pyridine-2-carboxamide is CC(=O)Nc1ccc(Nc2ccc(C(=O)NCc3ccncc3)nc2)cc1.
What is the InChIKey of 5-(4-acetamidoanilino)-N-(pyridin-4-ylmethyl)pyridine-2-carboxamide?
The InChIKey is DIVXSAAQIQQBTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N5O2/c1-14(26)24-16-2-4-17(5-3-16)25-18-6-7-19(22-13-18)20(27)23-12-15-8-10-21-11-9-15/h2-11,13,25H,12H2,1H3,(H,23,27)(H,24,26).
What are the key properties of 5-(4-acetamidoanilino)-N-(pyridin-4-ylmethyl)pyridine-2-carboxamide?
5-(4-acetamidoanilino)-N-(pyridin-4-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-4-ylmethyl)pyridine-2-carboxamide is sourced from PubChem (CID 109191552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).