6-(4-acetamidoanilino)-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide

C20H19N5O2 — CID 109157985

IUPAC6-(4-acetamidoanilino)-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide
SMILESCC(=O)Nc1ccc(Nc2ccc(C(=O)NCc3cccnc3)cn2)cc1
InChIInChI=1S/C20H19N5O2/c1-14(26)24-17-5-7-18(8-6-17)25-19-9-4-16(13-22-19)20(27)23-12-15-3-2-10-21-11-15/h2-11,13H,12H2,1H3,(H,22,25)(H,23,27)(H,24,26)
InChIKeyLJCPGIVUKJINCH-UHFFFAOYSA-N
MW361.41 g/mol
LogP3.11
Rot. Bonds6

About 6-(4-acetamidoanilino)-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide

6-(4-acetamidoanilino)-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide (PubChem CID 109157985) has the molecular formula C20H19N5O2 and a molecular weight of 361.41 g/mol. Its IUPAC name is 6-(4-acetamidoanilino)-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name6-(4-acetamidoanilino)-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide
PubChem CID109157985
Molecular FormulaC20H19N5O2
Molecular Weight361.41 g/mol
Exact Mass361.15
IUPAC Name6-(4-acetamidoanilino)-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide
SMILESCC(=O)Nc1ccc(Nc2ccc(C(=O)NCc3cccnc3)cn2)cc1
InChIInChI=1S/C20H19N5O2/c1-14(26)24-17-5-7-18(8-6-17)25-19-9-4-16(13-22-19)20(27)23-12-15-3-2-10-21-11-15/h2-11,13H,12H2,1H3,(H,22,25)(H,23,27)(H,24,26)
InChIKeyLJCPGIVUKJINCH-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

N-(pyridin-3-ylmethyl)-6-[4-(trifluoromethyl)anilino]pyridine-3-carboxamide
CID 109157983
4-N-(4-acetamidophenyl)-1-N-(pyridin-3-ylmethyl)benzene-1,4-dicarboxamide
CID 109047706
N-(4-acetamidophenyl)-6-(pyridin-3-ylmethylamino)pyridine-3-carboxamide
CID 109157895
2-(4-acetamidoanilino)-N-benzylpyrimidine-5-carboxamide
CID 109255327
1-(4-acetylphenyl)-3-(pyridin-3-ylmethyl)urea
CID 17280574
N-benzyl-6-(4-tert-butylanilino)pyridine-3-carboxamide
CID 109155602
N-[4-(pyridin-3-ylmethylcarbamothioylamino)phenyl]acetamide
CID 7678953
N-(4-tert-butylphenyl)-6-(pyridin-3-ylmethylamino)pyridine-3-carboxamide
CID 109157873
4-N-(4-tert-butylphenyl)-1-N-(pyridin-3-ylmethyl)benzene-1,4-dicarboxamide
CID 109047675
5-(3-acetamidoanilino)-N-(pyridin-3-ylmethyl)pyrazine-2-carboxamide
CID 109283309
3-N-(4-acetylphenyl)-1-N-(pyridin-3-ylmethyl)benzene-1,3-dicarboxamide
CID 109055137
6-bromo-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide
CID 66463466

Frequently Asked Questions

What is the IUPAC name of 6-(4-acetamidoanilino)-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide?
The IUPAC name of 6-(4-acetamidoanilino)-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide (CID 109157985) is 6-(4-acetamidoanilino)-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide.
What is the SMILES notation for 6-(4-acetamidoanilino)-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide?
The canonical SMILES for 6-(4-acetamidoanilino)-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide is CC(=O)Nc1ccc(Nc2ccc(C(=O)NCc3cccnc3)cn2)cc1.
What is the InChIKey of 6-(4-acetamidoanilino)-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide?
The InChIKey is LJCPGIVUKJINCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N5O2/c1-14(26)24-17-5-7-18(8-6-17)25-19-9-4-16(13-22-19)20(27)23-12-15-3-2-10-21-11-15/h2-11,13H,12H2,1H3,(H,22,25)(H,23,27)(H,24,26).
What are the key properties of 6-(4-acetamidoanilino)-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide?
6-(4-acetamidoanilino)-N-(pyridin-3-ylmethyl)pyridine-3-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 6-(4-acetamidoanilino)-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide is sourced from PubChem (CID 109157985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).