N-(2-amino-4,5-dimethoxyphenyl)-2-methylpyridine-4-carboxamide

C15H17N3O3 — CID 106752394

IUPACN-(2-amino-4,5-dimethoxyphenyl)-2-methylpyridine-4-carboxamide
SMILESCOc1cc(N)c(NC(=O)c2ccnc(C)c2)cc1OC
InChIInChI=1S/C15H17N3O3/c1-9-6-10(4-5-17-9)15(19)18-12-8-14(21-3)13(20-2)7-11(12)16/h4-8H,16H2,1-3H3,(H,18,19)
InChIKeyXLLDHMKNGKFSKJ-UHFFFAOYSA-N
MW287.32 g/mol
LogP2.24
Rot. Bonds4

About N-(2-amino-4,5-dimethoxyphenyl)-2-methylpyridine-4-carboxamide

N-(2-amino-4,5-dimethoxyphenyl)-2-methylpyridine-4-carboxamide (PubChem CID 106752394) has the molecular formula C15H17N3O3 and a molecular weight of 287.32 g/mol. Its IUPAC name is N-(2-amino-4,5-dimethoxyphenyl)-2-methylpyridine-4-carboxamide.

Molecular Properties

Compound NameN-(2-amino-4,5-dimethoxyphenyl)-2-methylpyridine-4-carboxamide
PubChem CID106752394
Molecular FormulaC15H17N3O3
Molecular Weight287.32 g/mol
Exact Mass287.13
IUPAC NameN-(2-amino-4,5-dimethoxyphenyl)-2-methylpyridine-4-carboxamide
SMILESCOc1cc(N)c(NC(=O)c2ccnc(C)c2)cc1OC
InChIInChI=1S/C15H17N3O3/c1-9-6-10(4-5-17-9)15(19)18-12-8-14(21-3)13(20-2)7-11(12)16/h4-8H,16H2,1-3H3,(H,18,19)
InChIKeyXLLDHMKNGKFSKJ-UHFFFAOYSA-N
XLogP2.24
TPSA86.47 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-(2-amino-4,5-dimethylphenyl)-3-methoxy-4-methylbenzamide
CID 62099101
2-chloro-N-(4,5-dimethoxy-2-methylphenyl)pyridine-4-carboxamide
CID 32694497
N-(2-amino-4-methylphenyl)-3,4-dimethoxybenzamide
CID 28866924
N-(2-amino-4,5-dimethoxyphenyl)-2-methylfuran-3-carboxamide
CID 43549154
N-(2-amino-4,5-dimethoxyphenyl)-5-methylthiophene-2-carboxamide
CID 43549139
N-(3-amino-2,6-dimethylphenyl)-2-methylpyridine-4-carboxamide
CID 106752359
N-(2-amino-5-methoxy-4-methylphenyl)benzamide;hydrochloride
CID 172831967
N-(2-chloro-4,5-dimethoxyphenyl)-2-fluoropyridine-4-carboxamide
CID 61294193
methyl N-(2-amino-4,5-dimethoxyphenyl)carbamate
CID 43551388
N-(2-amino-4-bromophenyl)-3,4-dimethoxybenzamide
CID 29008332
2-amino-N-(5-bromo-2-methoxyphenyl)pyridine-4-carboxamide
CID 62187195
N-(2-amino-4,5-dimethoxyphenyl)-4-(dimethylsulfamoyl)benzamide
CID 28867109

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-4,5-dimethoxyphenyl)-2-methylpyridine-4-carboxamide?
The IUPAC name of N-(2-amino-4,5-dimethoxyphenyl)-2-methylpyridine-4-carboxamide (CID 106752394) is N-(2-amino-4,5-dimethoxyphenyl)-2-methylpyridine-4-carboxamide.
What is the SMILES notation for N-(2-amino-4,5-dimethoxyphenyl)-2-methylpyridine-4-carboxamide?
The canonical SMILES for N-(2-amino-4,5-dimethoxyphenyl)-2-methylpyridine-4-carboxamide is COc1cc(N)c(NC(=O)c2ccnc(C)c2)cc1OC.
What is the InChIKey of N-(2-amino-4,5-dimethoxyphenyl)-2-methylpyridine-4-carboxamide?
The InChIKey is XLLDHMKNGKFSKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O3/c1-9-6-10(4-5-17-9)15(19)18-12-8-14(21-3)13(20-2)7-11(12)16/h4-8H,16H2,1-3H3,(H,18,19).
What are the key properties of N-(2-amino-4,5-dimethoxyphenyl)-2-methylpyridine-4-carboxamide?
N-(2-amino-4,5-dimethoxyphenyl)-2-methylpyridine-4-carboxamide has a molecular weight of 287.32 g/mol, XLogP of 2.24, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-4,5-dimethoxyphenyl)-2-methylpyridine-4-carboxamide is sourced from PubChem (CID 106752394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).