5-acetamido-N-[(2-methoxyphenyl)methyl]-2-methylpyridine-3-carboxamide

C17H19N3O3 — CID 155964980

IUPAC5-acetamido-N-[(2-methoxyphenyl)methyl]-2-methylpyridine-3-carboxamide
SMILESCOc1ccccc1CNC(=O)c1cc(NC(C)=O)cnc1C
InChIInChI=1S/C17H19N3O3/c1-11-15(8-14(10-18-11)20-12(2)21)17(22)19-9-13-6-4-5-7-16(13)23-3/h4-8,10H,9H2,1-3H3,(H,19,22)(H,20,21)
InChIKeyOAGFBWZGRLTGGX-UHFFFAOYSA-N
MW313.36 g/mol
LogP2.29
Rot. Bonds5

About 5-acetamido-N-[(2-methoxyphenyl)methyl]-2-methylpyridine-3-carboxamide

5-acetamido-N-[(2-methoxyphenyl)methyl]-2-methylpyridine-3-carboxamide (PubChem CID 155964980) has the molecular formula C17H19N3O3 and a molecular weight of 313.36 g/mol. Its IUPAC name is 5-acetamido-N-[(2-methoxyphenyl)methyl]-2-methylpyridine-3-carboxamide.

Molecular Properties

Compound Name5-acetamido-N-[(2-methoxyphenyl)methyl]-2-methylpyridine-3-carboxamide
PubChem CID155964980
Molecular FormulaC17H19N3O3
Molecular Weight313.36 g/mol
Exact Mass313.14
IUPAC Name5-acetamido-N-[(2-methoxyphenyl)methyl]-2-methylpyridine-3-carboxamide
SMILESCOc1ccccc1CNC(=O)c1cc(NC(C)=O)cnc1C
InChIInChI=1S/C17H19N3O3/c1-11-15(8-14(10-18-11)20-12(2)21)17(22)19-9-13-6-4-5-7-16(13)23-3/h4-8,10H,9H2,1-3H3,(H,19,22)(H,20,21)
InChIKeyOAGFBWZGRLTGGX-UHFFFAOYSA-N
XLogP2.29
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.36
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-acetamido-N-[(2,5-dimethoxyphenyl)methyl]-2-methylpyridine-3-carboxamide
CID 155955161
5-(3-acetamidoanilino)-N-[(2-methoxyphenyl)methyl]pyridine-2-carboxamide
CID 109190233
2,4,5-trimethoxy-N-[(2-methoxyphenyl)methyl]benzamide
CID 912738
4-methoxy-N-[(2-methoxyphenyl)methyl]-2,5-dimethylbenzamide
CID 110761590
4-(4-acetamidoanilino)-N-[(2-methoxyphenyl)methyl]pyridine-2-carboxamide
CID 109212022
[2-[(2-methoxyphenyl)methylcarbamoyl]phenyl] acetate
CID 3362065
2-amino-5-bromo-N-[(2-methoxyphenyl)methyl]pyridine-3-carboxamide
CID 62152678
3-hydroxy-N-[(2-methoxyphenyl)methyl]-2-methylbenzamide
CID 82786350
5-fluoro-2-methoxy-N-[(2-methoxyphenyl)methyl]benzamide
CID 31069159
6-(3-acetamidoanilino)-N-[(2-methoxyphenyl)methyl]pyrimidine-4-carboxamide
CID 109349018
2-methoxy-N-[(2-methoxyphenyl)methyl]-3,5-dimethylbenzamide
CID 110762822
2-iodo-N-[(2-methoxyphenyl)methyl]benzamide
CID 1378811

Frequently Asked Questions

What is the IUPAC name of 5-acetamido-N-[(2-methoxyphenyl)methyl]-2-methylpyridine-3-carboxamide?
The IUPAC name of 5-acetamido-N-[(2-methoxyphenyl)methyl]-2-methylpyridine-3-carboxamide (CID 155964980) is 5-acetamido-N-[(2-methoxyphenyl)methyl]-2-methylpyridine-3-carboxamide.
What is the SMILES notation for 5-acetamido-N-[(2-methoxyphenyl)methyl]-2-methylpyridine-3-carboxamide?
The canonical SMILES for 5-acetamido-N-[(2-methoxyphenyl)methyl]-2-methylpyridine-3-carboxamide is COc1ccccc1CNC(=O)c1cc(NC(C)=O)cnc1C.
What is the InChIKey of 5-acetamido-N-[(2-methoxyphenyl)methyl]-2-methylpyridine-3-carboxamide?
The InChIKey is OAGFBWZGRLTGGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O3/c1-11-15(8-14(10-18-11)20-12(2)21)17(22)19-9-13-6-4-5-7-16(13)23-3/h4-8,10H,9H2,1-3H3,(H,19,22)(H,20,21).
What are the key properties of 5-acetamido-N-[(2-methoxyphenyl)methyl]-2-methylpyridine-3-carboxamide?
5-acetamido-N-[(2-methoxyphenyl)methyl]-2-methylpyridine-3-carboxamide has a molecular weight of 313.36 g/mol, XLogP of 2.29, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-acetamido-N-[(2-methoxyphenyl)methyl]-2-methylpyridine-3-carboxamide is sourced from PubChem (CID 155964980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).