4-(4-acetylanilino)-N-[(4-methoxyphenyl)methyl]pyridine-2-carboxamide

C22H21N3O3 — CID 109212220

IUPAC4-(4-acetylanilino)-N-[(4-methoxyphenyl)methyl]pyridine-2-carboxamide
SMILESCOc1ccc(CNC(=O)c2cc(Nc3ccc(C(C)=O)cc3)ccn2)cc1
InChIInChI=1S/C22H21N3O3/c1-15(26)17-5-7-18(8-6-17)25-19-11-12-23-21(13-19)22(27)24-14-16-3-9-20(28-2)10-4-16/h3-13H,14H2,1-2H3,(H,23,25)(H,24,27)
InChIKeyASXLKEDWURNDSW-UHFFFAOYSA-N
MW375.43 g/mol
LogP3.97
Rot. Bonds7

About 4-(4-acetylanilino)-N-[(4-methoxyphenyl)methyl]pyridine-2-carboxamide

4-(4-acetylanilino)-N-[(4-methoxyphenyl)methyl]pyridine-2-carboxamide (PubChem CID 109212220) has the molecular formula C22H21N3O3 and a molecular weight of 375.43 g/mol. Its IUPAC name is 4-(4-acetylanilino)-N-[(4-methoxyphenyl)methyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name4-(4-acetylanilino)-N-[(4-methoxyphenyl)methyl]pyridine-2-carboxamide
PubChem CID109212220
Molecular FormulaC22H21N3O3
Molecular Weight375.43 g/mol
Exact Mass375.16
IUPAC Name4-(4-acetylanilino)-N-[(4-methoxyphenyl)methyl]pyridine-2-carboxamide
SMILESCOc1ccc(CNC(=O)c2cc(Nc3ccc(C(C)=O)cc3)ccn2)cc1
InChIInChI=1S/C22H21N3O3/c1-15(26)17-5-7-18(8-6-17)25-19-11-12-23-21(13-19)22(27)24-14-16-3-9-20(28-2)10-4-16/h3-13H,14H2,1-2H3,(H,23,25)(H,24,27)
InChIKeyASXLKEDWURNDSW-UHFFFAOYSA-N
XLogP3.97
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.43
LogP ≤ 53.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-(3-fluoroanilino)-N-[(4-methoxyphenyl)methyl]pyridine-2-carboxamide
CID 109212227
4-(2,6-dimethylanilino)-N-[(4-methoxyphenyl)methyl]pyridine-2-carboxamide
CID 109212185
4-(2-chloroanilino)-N-[(4-methoxyphenyl)methyl]pyridine-2-carboxamide
CID 109212198
4-(2,4-dimethylanilino)-N-[(4-methoxyphenyl)methyl]pyridine-2-carboxamide
CID 109212181
4-(4-ethoxyanilino)-N-[(4-fluorophenyl)methyl]pyridine-2-carboxamide
CID 109211451
4-[(4-chlorophenyl)methylamino]-N-[(4-methoxyphenyl)methyl]pyridine-2-carboxamide
CID 109211857
N-[(4-methoxyphenyl)methyl]-4-methylpyridine-2-carboxamide
CID 110851612
N-[(2-fluorophenyl)methyl]-4-(4-methoxyanilino)pyridine-2-carboxamide
CID 109211205
4-(butan-2-ylamino)-N-[(4-methoxyphenyl)methyl]pyridine-2-carboxamide
CID 109203453
4-chloro-N-[(4-methoxyphenyl)methyl]pyridine-2-carboxamide
CID 7802633
4-(4-acetamidoanilino)-N-[(4-fluorophenyl)methyl]pyridine-2-carboxamide
CID 109211464
4-(3-acetylanilino)-N-benzylpyridine-2-carboxamide
CID 109209720

Frequently Asked Questions

What is the IUPAC name of 4-(4-acetylanilino)-N-[(4-methoxyphenyl)methyl]pyridine-2-carboxamide?
The IUPAC name of 4-(4-acetylanilino)-N-[(4-methoxyphenyl)methyl]pyridine-2-carboxamide (CID 109212220) is 4-(4-acetylanilino)-N-[(4-methoxyphenyl)methyl]pyridine-2-carboxamide.
What is the SMILES notation for 4-(4-acetylanilino)-N-[(4-methoxyphenyl)methyl]pyridine-2-carboxamide?
The canonical SMILES for 4-(4-acetylanilino)-N-[(4-methoxyphenyl)methyl]pyridine-2-carboxamide is COc1ccc(CNC(=O)c2cc(Nc3ccc(C(C)=O)cc3)ccn2)cc1.
What is the InChIKey of 4-(4-acetylanilino)-N-[(4-methoxyphenyl)methyl]pyridine-2-carboxamide?
The InChIKey is ASXLKEDWURNDSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O3/c1-15(26)17-5-7-18(8-6-17)25-19-11-12-23-21(13-19)22(27)24-14-16-3-9-20(28-2)10-4-16/h3-13H,14H2,1-2H3,(H,23,25)(H,24,27).
What are the key properties of 4-(4-acetylanilino)-N-[(4-methoxyphenyl)methyl]pyridine-2-carboxamide?
4-(4-acetylanilino)-N-[(4-methoxyphenyl)methyl]pyridine-2-carboxamide has a molecular weight of 375.43 g/mol, XLogP of 3.97, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-acetylanilino)-N-[(4-methoxyphenyl)methyl]pyridine-2-carboxamide is sourced from PubChem (CID 109212220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).