3-(C,N-dimethylcarbonimidoyl)-2-(2-methoxyanilino)-6-methylpyridine-4-carboxylic acid

C17H19N3O3 — CID 89369426

IUPAC3-(C,N-dimethylcarbonimidoyl)-2-(2-methoxyanilino)-6-methylpyridine-4-carboxylic acid
SMILESC/N=C(\C)c1c(C(=O)O)cc(C)nc1Nc1ccccc1OC
InChIInChI=1S/C17H19N3O3/c1-10-9-12(17(21)22)15(11(2)18-3)16(19-10)20-13-7-5-6-8-14(13)23-4/h5-9H,1-4H3,(H,19,20)(H,21,22)/b18-11+
InChIKeyRTNGALMKZACPON-WOJGMQOQSA-N
MW313.36 g/mol
LogP3.28
Rot. Bonds5

About 3-(C,N-dimethylcarbonimidoyl)-2-(2-methoxyanilino)-6-methylpyridine-4-carboxylic acid

3-(C,N-dimethylcarbonimidoyl)-2-(2-methoxyanilino)-6-methylpyridine-4-carboxylic acid (PubChem CID 89369426) has the molecular formula C17H19N3O3 and a molecular weight of 313.36 g/mol. Its IUPAC name is 3-(C,N-dimethylcarbonimidoyl)-2-(2-methoxyanilino)-6-methylpyridine-4-carboxylic acid.

Molecular Properties

Compound Name3-(C,N-dimethylcarbonimidoyl)-2-(2-methoxyanilino)-6-methylpyridine-4-carboxylic acid
PubChem CID89369426
Molecular FormulaC17H19N3O3
Molecular Weight313.36 g/mol
Exact Mass313.14
IUPAC Name3-(C,N-dimethylcarbonimidoyl)-2-(2-methoxyanilino)-6-methylpyridine-4-carboxylic acid
SMILESC/N=C(\C)c1c(C(=O)O)cc(C)nc1Nc1ccccc1OC
InChIInChI=1S/C17H19N3O3/c1-10-9-12(17(21)22)15(11(2)18-3)16(19-10)20-13-7-5-6-8-14(13)23-4/h5-9H,1-4H3,(H,19,20)(H,21,22)/b18-11+
InChIKeyRTNGALMKZACPON-WOJGMQOQSA-N
XLogP3.28
TPSA83.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.36
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

5-carbamoyl-6-(2-methoxyanilino)-2-methylpyridine-3-carboxylic acid
CID 3077597
2-(2-hydroxyanilino)-8-methoxyquinoline-3-carboxylic acid
CID 70545123
2-fluoro-5-(2-methoxyanilino)benzoic acid
CID 82537069
2-chloro-4-(2-methoxyanilino)-N-methylpyrimidine-5-carboxamide
CID 170754075
4-(2-methoxyanilino)quinazoline-7-carboxylic acid
CID 1414161
N-(2-methoxyphenyl)-3-methylquinoxalin-2-amine
CID 23821079
2-[(2-methoxyphenyl)carbamoyl]benzoic acid
CID 762850
4-N-ethyl-2-N-(2-methoxyphenyl)-6-methyl-4-N-phenylpyrimidine-2,4-diamine
CID 112928779
2-chloro-N-(2-methoxyphenyl)-6-methylpyrimidin-4-amine
CID 55080697
2-(2-methoxyanilino)-6-methyl-N-prop-2-enylpyrimidine-4-carboxamide
CID 109320348
2-(5-fluoro-2-methoxyanilino)pyridine-3-carboxylic acid
CID 178064933
2-[[2-(2-methoxyanilino)acetyl]amino]benzoic acid
CID 18929239

Frequently Asked Questions

What is the IUPAC name of 3-(C,N-dimethylcarbonimidoyl)-2-(2-methoxyanilino)-6-methylpyridine-4-carboxylic acid?
The IUPAC name of 3-(C,N-dimethylcarbonimidoyl)-2-(2-methoxyanilino)-6-methylpyridine-4-carboxylic acid (CID 89369426) is 3-(C,N-dimethylcarbonimidoyl)-2-(2-methoxyanilino)-6-methylpyridine-4-carboxylic acid.
What is the SMILES notation for 3-(C,N-dimethylcarbonimidoyl)-2-(2-methoxyanilino)-6-methylpyridine-4-carboxylic acid?
The canonical SMILES for 3-(C,N-dimethylcarbonimidoyl)-2-(2-methoxyanilino)-6-methylpyridine-4-carboxylic acid is C/N=C(\C)c1c(C(=O)O)cc(C)nc1Nc1ccccc1OC.
What is the InChIKey of 3-(C,N-dimethylcarbonimidoyl)-2-(2-methoxyanilino)-6-methylpyridine-4-carboxylic acid?
The InChIKey is RTNGALMKZACPON-WOJGMQOQSA-N. The full InChI is InChI=1S/C17H19N3O3/c1-10-9-12(17(21)22)15(11(2)18-3)16(19-10)20-13-7-5-6-8-14(13)23-4/h5-9H,1-4H3,(H,19,20)(H,21,22)/b18-11+.
What are the key properties of 3-(C,N-dimethylcarbonimidoyl)-2-(2-methoxyanilino)-6-methylpyridine-4-carboxylic acid?
3-(C,N-dimethylcarbonimidoyl)-2-(2-methoxyanilino)-6-methylpyridine-4-carboxylic acid has a molecular weight of 313.36 g/mol, XLogP of 3.28, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(C,N-dimethylcarbonimidoyl)-2-(2-methoxyanilino)-6-methylpyridine-4-carboxylic acid is sourced from PubChem (CID 89369426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).