4-amino-N-[(2,4-dimethoxyphenyl)methyl]pyridine-3-carboxamide

C15H17N3O3 — CID 81235643

IUPAC4-amino-N-[(2,4-dimethoxyphenyl)methyl]pyridine-3-carboxamide
SMILESCOc1ccc(CNC(=O)c2cnccc2N)c(OC)c1
InChIInChI=1S/C15H17N3O3/c1-20-11-4-3-10(14(7-11)21-2)8-18-15(19)12-9-17-6-5-13(12)16/h3-7,9H,8H2,1-2H3,(H2,16,17)(H,18,19)
InChIKeyGFZXFDRJYSEFCB-UHFFFAOYSA-N
MW287.32 g/mol
LogP1.61
Rot. Bonds5

About 4-amino-N-[(2,4-dimethoxyphenyl)methyl]pyridine-3-carboxamide

4-amino-N-[(2,4-dimethoxyphenyl)methyl]pyridine-3-carboxamide (PubChem CID 81235643) has the molecular formula C15H17N3O3 and a molecular weight of 287.32 g/mol. Its IUPAC name is 4-amino-N-[(2,4-dimethoxyphenyl)methyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name4-amino-N-[(2,4-dimethoxyphenyl)methyl]pyridine-3-carboxamide
PubChem CID81235643
Molecular FormulaC15H17N3O3
Molecular Weight287.32 g/mol
Exact Mass287.13
IUPAC Name4-amino-N-[(2,4-dimethoxyphenyl)methyl]pyridine-3-carboxamide
SMILESCOc1ccc(CNC(=O)c2cnccc2N)c(OC)c1
InChIInChI=1S/C15H17N3O3/c1-20-11-4-3-10(14(7-11)21-2)8-18-15(19)12-9-17-6-5-13(12)16/h3-7,9H,8H2,1-2H3,(H2,16,17)(H,18,19)
InChIKeyGFZXFDRJYSEFCB-UHFFFAOYSA-N
XLogP1.61
TPSA86.47 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-4-methoxy-N-[(4-methyl-3-pyridinyl)methyl]benzamide
CID 114955995
N-[(2,4-dimethoxyphenyl)methyl]-4-propylpyrimidine-5-carboxamide
CID 77094958
(2,4-dimethoxyphenyl)methylurea
CID 53362457
N-[(2,4-dimethoxyphenyl)methyl]-2-ethoxybenzamide
CID 46590246
N-[(2,4-dimethoxyphenyl)methyl]-2H-triazole-4-carboxamide
CID 47338634
methyl 2-[(4-amino-3-pyridinyl)methyl-[(2,4-dimethoxyphenyl)methyl]amino]acetate
CID 139401063
N-[(2,4-dimethoxyphenyl)methyl]-2,6-difluorobenzamide
CID 46590232
4-amino-N-(2-methoxyethyl)pyridine-3-carboxamide
CID 81235993
7-bromo-N-[(2,4-dimethoxyphenyl)methyl]-3-methylpyrrolo[1,2-c]pyrimidine-5-carboxamide
CID 170354818
5-chloro-N-[(2,4-dimethoxyphenyl)methyl]-1,3,4-thiadiazole-2-carboxamide
CID 80619175
N-[(2,4-dimethoxyphenyl)methyl]-2-iodo-3-methylbenzamide
CID 46453624
4-tert-butyl-N-[(2,4-dimethoxyphenyl)methyl]benzamide
CID 71822536

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[(2,4-dimethoxyphenyl)methyl]pyridine-3-carboxamide?
The IUPAC name of 4-amino-N-[(2,4-dimethoxyphenyl)methyl]pyridine-3-carboxamide (CID 81235643) is 4-amino-N-[(2,4-dimethoxyphenyl)methyl]pyridine-3-carboxamide.
What is the SMILES notation for 4-amino-N-[(2,4-dimethoxyphenyl)methyl]pyridine-3-carboxamide?
The canonical SMILES for 4-amino-N-[(2,4-dimethoxyphenyl)methyl]pyridine-3-carboxamide is COc1ccc(CNC(=O)c2cnccc2N)c(OC)c1.
What is the InChIKey of 4-amino-N-[(2,4-dimethoxyphenyl)methyl]pyridine-3-carboxamide?
The InChIKey is GFZXFDRJYSEFCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O3/c1-20-11-4-3-10(14(7-11)21-2)8-18-15(19)12-9-17-6-5-13(12)16/h3-7,9H,8H2,1-2H3,(H2,16,17)(H,18,19).
What are the key properties of 4-amino-N-[(2,4-dimethoxyphenyl)methyl]pyridine-3-carboxamide?
4-amino-N-[(2,4-dimethoxyphenyl)methyl]pyridine-3-carboxamide has a molecular weight of 287.32 g/mol, XLogP of 1.61, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[(2,4-dimethoxyphenyl)methyl]pyridine-3-carboxamide is sourced from PubChem (CID 81235643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).