2-(acetamidomethyl)-N-(2-methoxy-5-methylphenyl)pyridine-4-carboxamide

C17H19N3O3 — CID 112521184

IUPAC2-(acetamidomethyl)-N-(2-methoxy-5-methylphenyl)pyridine-4-carboxamide
SMILESCOc1ccc(C)cc1NC(=O)c1ccnc(CNC(C)=O)c1
InChIInChI=1S/C17H19N3O3/c1-11-4-5-16(23-3)15(8-11)20-17(22)13-6-7-18-14(9-13)10-19-12(2)21/h4-9H,10H2,1-3H3,(H,19,21)(H,20,22)
InChIKeyAJZPEESKKYDGMN-UHFFFAOYSA-N
MW313.36 g/mol
LogP2.29
Rot. Bonds5

About 2-(acetamidomethyl)-N-(2-methoxy-5-methylphenyl)pyridine-4-carboxamide

2-(acetamidomethyl)-N-(2-methoxy-5-methylphenyl)pyridine-4-carboxamide (PubChem CID 112521184) has the molecular formula C17H19N3O3 and a molecular weight of 313.36 g/mol. Its IUPAC name is 2-(acetamidomethyl)-N-(2-methoxy-5-methylphenyl)pyridine-4-carboxamide.

Molecular Properties

Compound Name2-(acetamidomethyl)-N-(2-methoxy-5-methylphenyl)pyridine-4-carboxamide
PubChem CID112521184
Molecular FormulaC17H19N3O3
Molecular Weight313.36 g/mol
Exact Mass313.14
IUPAC Name2-(acetamidomethyl)-N-(2-methoxy-5-methylphenyl)pyridine-4-carboxamide
SMILESCOc1ccc(C)cc1NC(=O)c1ccnc(CNC(C)=O)c1
InChIInChI=1S/C17H19N3O3/c1-11-4-5-16(23-3)15(8-11)20-17(22)13-6-7-18-14(9-13)10-19-12(2)21/h4-9H,10H2,1-3H3,(H,19,21)(H,20,22)
InChIKeyAJZPEESKKYDGMN-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

ethyl N-[[4-[(2-methoxy-5-methylphenyl)carbamoyl]-2-pyridinyl]methyl]carbamate
CID 112521186
methyl N-[[4-[(2,5-dimethylphenyl)carbamoyl]-2-pyridinyl]methyl]carbamate
CID 112520824
2-tert-butyl-N-(2-methoxy-5-methylphenyl)pyridine-4-carboxamide
CID 4731310
2-(acetamidomethyl)-N-(2-methylpyrimidin-5-yl)pyridine-4-carboxamide
CID 112524228
2-(acetamidomethyl)-N-(2-chlorophenyl)pyridine-4-carboxamide
CID 112520426
4-N-(2-methoxy-5-methylphenyl)-2-N-(3-methylbutyl)pyridine-2,4-dicarboxamide
CID 109089696
methyl N-[[4-[(2,4-dimethoxyphenyl)carbamoyl]-2-pyridinyl]methyl]carbamate
CID 112521455
2-N-[(2-fluorophenyl)methyl]-4-N-(2-methoxy-5-methylphenyl)pyridine-2,4-dicarboxamide
CID 109086465
N-[(4-methyl-2-pyridinyl)methyl]acetamide
CID 121378939
4-N-(2-methoxy-5-methylphenyl)-2-N-(2-phenylethyl)pyridine-2,4-dicarboxamide
CID 109087816
4-N-[(4-fluorophenyl)methyl]-2-N-(2-methoxy-5-methylphenyl)pyridine-2,4-dicarboxamide
CID 109086540
2-(2,6-dimethylanilino)-N-(2-methoxy-5-methylphenyl)pyridine-4-carboxamide
CID 109176772

Frequently Asked Questions

What is the IUPAC name of 2-(acetamidomethyl)-N-(2-methoxy-5-methylphenyl)pyridine-4-carboxamide?
The IUPAC name of 2-(acetamidomethyl)-N-(2-methoxy-5-methylphenyl)pyridine-4-carboxamide (CID 112521184) is 2-(acetamidomethyl)-N-(2-methoxy-5-methylphenyl)pyridine-4-carboxamide.
What is the SMILES notation for 2-(acetamidomethyl)-N-(2-methoxy-5-methylphenyl)pyridine-4-carboxamide?
The canonical SMILES for 2-(acetamidomethyl)-N-(2-methoxy-5-methylphenyl)pyridine-4-carboxamide is COc1ccc(C)cc1NC(=O)c1ccnc(CNC(C)=O)c1.
What is the InChIKey of 2-(acetamidomethyl)-N-(2-methoxy-5-methylphenyl)pyridine-4-carboxamide?
The InChIKey is AJZPEESKKYDGMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O3/c1-11-4-5-16(23-3)15(8-11)20-17(22)13-6-7-18-14(9-13)10-19-12(2)21/h4-9H,10H2,1-3H3,(H,19,21)(H,20,22).
What are the key properties of 2-(acetamidomethyl)-N-(2-methoxy-5-methylphenyl)pyridine-4-carboxamide?
2-(acetamidomethyl)-N-(2-methoxy-5-methylphenyl)pyridine-4-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 2-(acetamidomethyl)-N-(2-methoxy-5-methylphenyl)pyridine-4-carboxamide is sourced from PubChem (CID 112521184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).