5-(4-acetylanilino)-N-[(2-methoxyphenyl)methyl]pyridine-2-carboxamide

C22H21N3O3 — CID 109190232

IUPAC5-(4-acetylanilino)-N-[(2-methoxyphenyl)methyl]pyridine-2-carboxamide
SMILESCOc1ccccc1CNC(=O)c1ccc(Nc2ccc(C(C)=O)cc2)cn1
InChIInChI=1S/C22H21N3O3/c1-15(26)16-7-9-18(10-8-16)25-19-11-12-20(23-14-19)22(27)24-13-17-5-3-4-6-21(17)28-2/h3-12,14,25H,13H2,1-2H3,(H,24,27)
InChIKeyVMMNKOJUHXGACZ-UHFFFAOYSA-N
MW375.43 g/mol
LogP3.97
Rot. Bonds7

About 5-(4-acetylanilino)-N-[(2-methoxyphenyl)methyl]pyridine-2-carboxamide

5-(4-acetylanilino)-N-[(2-methoxyphenyl)methyl]pyridine-2-carboxamide (PubChem CID 109190232) has the molecular formula C22H21N3O3 and a molecular weight of 375.43 g/mol. Its IUPAC name is 5-(4-acetylanilino)-N-[(2-methoxyphenyl)methyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name5-(4-acetylanilino)-N-[(2-methoxyphenyl)methyl]pyridine-2-carboxamide
PubChem CID109190232
Molecular FormulaC22H21N3O3
Molecular Weight375.43 g/mol
Exact Mass375.16
IUPAC Name5-(4-acetylanilino)-N-[(2-methoxyphenyl)methyl]pyridine-2-carboxamide
SMILESCOc1ccccc1CNC(=O)c1ccc(Nc2ccc(C(C)=O)cc2)cn1
InChIInChI=1S/C22H21N3O3/c1-15(26)16-7-9-18(10-8-16)25-19-11-12-20(23-14-19)22(27)24-13-17-5-3-4-6-21(17)28-2/h3-12,14,25H,13H2,1-2H3,(H,24,27)
InChIKeyVMMNKOJUHXGACZ-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

N-[(2-methoxyphenyl)methyl]-5-(4-propan-2-yloxyanilino)pyridine-2-carboxamide
CID 109190227
5-(3-acetamidoanilino)-N-[(2-methoxyphenyl)methyl]pyridine-2-carboxamide
CID 109190233
N-[(2-methoxyphenyl)methyl]-5-(3-methylanilino)pyridine-2-carboxamide
CID 109190188
5-(3-chloro-4-fluoroanilino)-N-[(2-methoxyphenyl)methyl]pyridine-2-carboxamide
CID 109190217
5-(2-methoxyethylamino)-N-[(2-methoxyphenyl)methyl]pyridine-2-carboxamide
CID 109184031
5-(2,4-dimethoxyanilino)-N-[(2-methoxyphenyl)methyl]pyridine-2-carboxamide
CID 109190229
5-bromo-N-[(2-methoxyphenyl)methyl]pyridine-2-carboxamide
CID 62953516
5-(2,5-dimethylanilino)-N-[(2-methoxyphenyl)methyl]pyridine-2-carboxamide
CID 109190194
N-[(2-fluorophenyl)methyl]-5-[(2-methoxyphenyl)methylamino]pyridine-2-carboxamide
CID 109189345
5-[(2-fluorophenyl)methylamino]-N-[(2-methoxyphenyl)methyl]pyridine-2-carboxamide
CID 109189465
N-[(2-methoxyphenyl)methyl]-5-(2-phenylethylamino)pyridine-2-carboxamide
CID 109190160
N-[(2-methoxyphenyl)methyl]-5-phenylpyridine-2-carboxamide
CID 110683577

Frequently Asked Questions

What is the IUPAC name of 5-(4-acetylanilino)-N-[(2-methoxyphenyl)methyl]pyridine-2-carboxamide?
The IUPAC name of 5-(4-acetylanilino)-N-[(2-methoxyphenyl)methyl]pyridine-2-carboxamide (CID 109190232) is 5-(4-acetylanilino)-N-[(2-methoxyphenyl)methyl]pyridine-2-carboxamide.
What is the SMILES notation for 5-(4-acetylanilino)-N-[(2-methoxyphenyl)methyl]pyridine-2-carboxamide?
The canonical SMILES for 5-(4-acetylanilino)-N-[(2-methoxyphenyl)methyl]pyridine-2-carboxamide is COc1ccccc1CNC(=O)c1ccc(Nc2ccc(C(C)=O)cc2)cn1.
What is the InChIKey of 5-(4-acetylanilino)-N-[(2-methoxyphenyl)methyl]pyridine-2-carboxamide?
The InChIKey is VMMNKOJUHXGACZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O3/c1-15(26)16-7-9-18(10-8-16)25-19-11-12-20(23-14-19)22(27)24-13-17-5-3-4-6-21(17)28-2/h3-12,14,25H,13H2,1-2H3,(H,24,27).
What are the key properties of 5-(4-acetylanilino)-N-[(2-methoxyphenyl)methyl]pyridine-2-carboxamide?
5-(4-acetylanilino)-N-[(2-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 5-(4-acetylanilino)-N-[(2-methoxyphenyl)methyl]pyridine-2-carboxamide is sourced from PubChem (CID 109190232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).