2-(aminomethyl)-N-(3-methoxy-2,4-dimethylphenyl)pyridine-4-carboxamide

C16H19N3O2 — CID 114325733

IUPAC2-(aminomethyl)-N-(3-methoxy-2,4-dimethylphenyl)pyridine-4-carboxamide
SMILESCOc1c(C)ccc(NC(=O)c2ccnc(CN)c2)c1C
InChIInChI=1S/C16H19N3O2/c1-10-4-5-14(11(2)15(10)21-3)19-16(20)12-6-7-18-13(8-12)9-17/h4-8H,9,17H2,1-3H3,(H,19,20)
InChIKeyCSMRZZRVHBJWOW-UHFFFAOYSA-N
MW285.35 g/mol
LogP2.42
Rot. Bonds4

About 2-(aminomethyl)-N-(3-methoxy-2,4-dimethylphenyl)pyridine-4-carboxamide

2-(aminomethyl)-N-(3-methoxy-2,4-dimethylphenyl)pyridine-4-carboxamide (PubChem CID 114325733) has the molecular formula C16H19N3O2 and a molecular weight of 285.35 g/mol. Its IUPAC name is 2-(aminomethyl)-N-(3-methoxy-2,4-dimethylphenyl)pyridine-4-carboxamide.

Molecular Properties

Compound Name2-(aminomethyl)-N-(3-methoxy-2,4-dimethylphenyl)pyridine-4-carboxamide
PubChem CID114325733
Molecular FormulaC16H19N3O2
Molecular Weight285.35 g/mol
Exact Mass285.15
IUPAC Name2-(aminomethyl)-N-(3-methoxy-2,4-dimethylphenyl)pyridine-4-carboxamide
SMILESCOc1c(C)ccc(NC(=O)c2ccnc(CN)c2)c1C
InChIInChI=1S/C16H19N3O2/c1-10-4-5-14(11(2)15(10)21-3)19-16(20)12-6-7-18-13(8-12)9-17/h4-8H,9,17H2,1-3H3,(H,19,20)
InChIKeyCSMRZZRVHBJWOW-UHFFFAOYSA-N
XLogP2.42
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(aminomethyl)-N-(4-iodo-2-methylphenyl)pyridine-4-carboxamide
CID 114325820
4-amino-N-(3-methoxy-2,4-dimethylphenyl)benzamide
CID 43697374
2-(aminomethyl)-N-(2-chloro-5-methoxyphenyl)pyridine-4-carboxamide
CID 114326382
2-(aminomethyl)-N-(2-hydroxy-5-methylphenyl)pyridine-4-carboxamide
CID 114326804
5-hydroxy-N-(3-methoxy-2,4-dimethylphenyl)pyridine-3-carboxamide
CID 63860127
6-bromo-N-(3-methoxy-2,4-dimethylphenyl)pyridine-3-carboxamide
CID 66462513
2-(aminomethyl)-N-(2,4-difluorophenyl)pyridine-4-carboxamide
CID 114325533
2,3-difluoro-N-(3-methoxy-2,4-dimethylphenyl)pyridine-4-carboxamide
CID 105380636
5-iodo-N-(3-methoxy-2,4-dimethylphenyl)thiophene-3-carboxamide
CID 78949082
2-(aminomethyl)-N-(3-hydroxy-4-methoxyphenyl)pyridine-4-carboxamide
CID 114325849
2-(aminomethyl)-N-(3-bromo-4-methoxyphenyl)pyridine-4-carboxamide
CID 114326705
1-(2-aminoethyl)-N-(3-methoxy-2,4-dimethylphenyl)imidazole-4-carboxamide
CID 107496194

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-(3-methoxy-2,4-dimethylphenyl)pyridine-4-carboxamide?
The IUPAC name of 2-(aminomethyl)-N-(3-methoxy-2,4-dimethylphenyl)pyridine-4-carboxamide (CID 114325733) is 2-(aminomethyl)-N-(3-methoxy-2,4-dimethylphenyl)pyridine-4-carboxamide.
What is the SMILES notation for 2-(aminomethyl)-N-(3-methoxy-2,4-dimethylphenyl)pyridine-4-carboxamide?
The canonical SMILES for 2-(aminomethyl)-N-(3-methoxy-2,4-dimethylphenyl)pyridine-4-carboxamide is COc1c(C)ccc(NC(=O)c2ccnc(CN)c2)c1C.
What is the InChIKey of 2-(aminomethyl)-N-(3-methoxy-2,4-dimethylphenyl)pyridine-4-carboxamide?
The InChIKey is CSMRZZRVHBJWOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2/c1-10-4-5-14(11(2)15(10)21-3)19-16(20)12-6-7-18-13(8-12)9-17/h4-8H,9,17H2,1-3H3,(H,19,20).
What are the key properties of 2-(aminomethyl)-N-(3-methoxy-2,4-dimethylphenyl)pyridine-4-carboxamide?
2-(aminomethyl)-N-(3-methoxy-2,4-dimethylphenyl)pyridine-4-carboxamide has a molecular weight of 285.35 g/mol, XLogP of 2.42, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-(3-methoxy-2,4-dimethylphenyl)pyridine-4-carboxamide is sourced from PubChem (CID 114325733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).