2-[(4-methylphenyl)carbamoyl]pyridine-3-carboxylate

C14H11N2O3- — CID 6920825

IUPAC2-[(4-methylphenyl)carbamoyl]pyridine-3-carboxylate
SMILESCc1ccc(NC(=O)c2ncccc2C(=O)[O-])cc1
InChIInChI=1S/C14H12N2O3/c1-9-4-6-10(7-5-9)16-13(17)12-11(14(18)19)3-2-8-15-12/h2-8H,1H3,(H,16,17)(H,18,19)/p-1
InChIKeyXKIZENVEHIYQKK-UHFFFAOYSA-M
MW255.25 g/mol
LogP1.01
Rot. Bonds3

About 2-[(4-methylphenyl)carbamoyl]pyridine-3-carboxylate

2-[(4-methylphenyl)carbamoyl]pyridine-3-carboxylate (PubChem CID 6920825) has the molecular formula C14H11N2O3- and a molecular weight of 255.25 g/mol. Its IUPAC name is 2-[(4-methylphenyl)carbamoyl]pyridine-3-carboxylate.

Molecular Properties

Compound Name2-[(4-methylphenyl)carbamoyl]pyridine-3-carboxylate
PubChem CID6920825
Molecular FormulaC14H11N2O3-
Molecular Weight255.25 g/mol
Exact Mass255.08
IUPAC Name2-[(4-methylphenyl)carbamoyl]pyridine-3-carboxylate
SMILESCc1ccc(NC(=O)c2ncccc2C(=O)[O-])cc1
InChIInChI=1S/C14H12N2O3/c1-9-4-6-10(7-5-9)16-13(17)12-11(14(18)19)3-2-8-15-12/h2-8H,1H3,(H,16,17)(H,18,19)/p-1
InChIKeyXKIZENVEHIYQKK-UHFFFAOYSA-M
XLogP1.01
TPSA82.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.25
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-N-(4-methylphenyl)pyridine-2,3-dicarboxamide
CID 143053428
2-[(4-carboxyphenyl)carbamoyl]pyridine-3-carboxylic acid
CID 21231390
2-anilino-N-(4-methylphenyl)pyridine-3-carboxamide
CID 23632392
2-[[4-[(4-methylphenyl)methyl]phenyl]carbamoyl]benzoate
CID 155766667
N-(4-iodophenyl)-3-methylpyridine-2-carboxamide
CID 62339482
dichloromanganese;bis(N-(4-methylphenyl)pyridine-2-carboxamide)
CID 11455628
N-[4-(4-methylphenyl)sulfonylphenyl]isoquinoline-1-carboxamide
CID 177399589
dicopper;bis(N-(4-methylphenyl)pyridin-2-amine);tetraacetate
CID 139082295
1-methyl-3-N,4-N-bis(4-methylphenyl)pyrazole-3,4-dicarboxamide
CID 29097610
2-[(3,4-dichlorophenyl)carbamoyl]pyridine-3-carboxylic acid
CID 53270655
N-(4-methylphenyl)-1,5-naphthyridine-2-carboxamide
CID 70972115
2-(3-fluoroanilino)-N-(4-methylphenyl)pyridine-3-carboxamide
CID 23632400

Frequently Asked Questions

What is the IUPAC name of 2-[(4-methylphenyl)carbamoyl]pyridine-3-carboxylate?
The IUPAC name of 2-[(4-methylphenyl)carbamoyl]pyridine-3-carboxylate (CID 6920825) is 2-[(4-methylphenyl)carbamoyl]pyridine-3-carboxylate.
What is the SMILES notation for 2-[(4-methylphenyl)carbamoyl]pyridine-3-carboxylate?
The canonical SMILES for 2-[(4-methylphenyl)carbamoyl]pyridine-3-carboxylate is Cc1ccc(NC(=O)c2ncccc2C(=O)[O-])cc1.
What is the InChIKey of 2-[(4-methylphenyl)carbamoyl]pyridine-3-carboxylate?
The InChIKey is XKIZENVEHIYQKK-UHFFFAOYSA-M. The full InChI is InChI=1S/C14H12N2O3/c1-9-4-6-10(7-5-9)16-13(17)12-11(14(18)19)3-2-8-15-12/h2-8H,1H3,(H,16,17)(H,18,19)/p-1.
What are the key properties of 2-[(4-methylphenyl)carbamoyl]pyridine-3-carboxylate?
2-[(4-methylphenyl)carbamoyl]pyridine-3-carboxylate has a molecular weight of 255.25 g/mol, XLogP of 1.01, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methylphenyl)carbamoyl]pyridine-3-carboxylate is sourced from PubChem (CID 6920825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).