4-[(3-chloro-4-methylphenyl)carbamoylamino]pyridine-2-carboxylic acid

C14H12ClN3O3 — CID 63651885

IUPAC4-[(3-chloro-4-methylphenyl)carbamoylamino]pyridine-2-carboxylic acid
SMILESCc1ccc(NC(=O)Nc2ccnc(C(=O)O)c2)cc1Cl
InChIInChI=1S/C14H12ClN3O3/c1-8-2-3-9(6-11(8)15)17-14(21)18-10-4-5-16-12(7-10)13(19)20/h2-7H,1H3,(H,19,20)(H2,16,17,18,21)
InChIKeyAEBXTCJUFXMPAH-UHFFFAOYSA-N
MW305.72 g/mol
LogP3.39
Rot. Bonds3

About 4-[(3-chloro-4-methylphenyl)carbamoylamino]pyridine-2-carboxylic acid

4-[(3-chloro-4-methylphenyl)carbamoylamino]pyridine-2-carboxylic acid (PubChem CID 63651885) has the molecular formula C14H12ClN3O3 and a molecular weight of 305.72 g/mol. Its IUPAC name is 4-[(3-chloro-4-methylphenyl)carbamoylamino]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name4-[(3-chloro-4-methylphenyl)carbamoylamino]pyridine-2-carboxylic acid
PubChem CID63651885
Molecular FormulaC14H12ClN3O3
Molecular Weight305.72 g/mol
Exact Mass305.06
IUPAC Name4-[(3-chloro-4-methylphenyl)carbamoylamino]pyridine-2-carboxylic acid
SMILESCc1ccc(NC(=O)Nc2ccnc(C(=O)O)c2)cc1Cl
InChIInChI=1S/C14H12ClN3O3/c1-8-2-3-9(6-11(8)15)17-14(21)18-10-4-5-16-12(7-10)13(19)20/h2-7H,1H3,(H,19,20)(H2,16,17,18,21)
InChIKeyAEBXTCJUFXMPAH-UHFFFAOYSA-N
XLogP3.39
TPSA91.32 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.72
LogP ≤ 53.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-chloro-4-hydroxyphenyl)-3-(3-chloro-4-methylphenyl)urea
CID 64787332
1-(3-chloro-4-methylphenyl)-3-(4-phenylphenyl)urea
CID 108866984
4-[(4-cyanophenyl)carbamoylamino]pyridine-2-carboxylic acid
CID 63650036
N-(3-chloro-4-methylphenyl)-4-(4-cyanoanilino)pyridine-2-carboxamide
CID 109221263
methyl 4-[[2-[(3-chloro-4-methylphenyl)carbamoyl]-4-pyridinyl]amino]benzoate
CID 109221255
2-N-(3-chloro-4-methylphenyl)-4-N-(4-methylphenyl)pyridine-2,4-dicarboxamide
CID 109091288
1-(3-chloro-4-methylphenyl)-3-(3-methylphenyl)urea
CID 727838
1-(4-tert-butylphenyl)-3-(3-chloro-4-methylphenyl)urea
CID 108884728
1-(3-chloro-4-methylphenyl)-3-(methylamino)urea
CID 126971586
4-(3-chloro-4-methylanilino)-N-(3-methoxyphenyl)pyridine-2-carboxamide
CID 109221266
2-N-(3-chloro-4-methylphenyl)-4-N-(3,5-dimethylphenyl)pyridine-2,4-dicarboxamide
CID 109091966
4-(3-chloro-4-methylanilino)-N-(2-fluorophenyl)pyridine-2-carboxamide
CID 109220598

Frequently Asked Questions

What is the IUPAC name of 4-[(3-chloro-4-methylphenyl)carbamoylamino]pyridine-2-carboxylic acid?
The IUPAC name of 4-[(3-chloro-4-methylphenyl)carbamoylamino]pyridine-2-carboxylic acid (CID 63651885) is 4-[(3-chloro-4-methylphenyl)carbamoylamino]pyridine-2-carboxylic acid.
What is the SMILES notation for 4-[(3-chloro-4-methylphenyl)carbamoylamino]pyridine-2-carboxylic acid?
The canonical SMILES for 4-[(3-chloro-4-methylphenyl)carbamoylamino]pyridine-2-carboxylic acid is Cc1ccc(NC(=O)Nc2ccnc(C(=O)O)c2)cc1Cl.
What is the InChIKey of 4-[(3-chloro-4-methylphenyl)carbamoylamino]pyridine-2-carboxylic acid?
The InChIKey is AEBXTCJUFXMPAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClN3O3/c1-8-2-3-9(6-11(8)15)17-14(21)18-10-4-5-16-12(7-10)13(19)20/h2-7H,1H3,(H,19,20)(H2,16,17,18,21).
What are the key properties of 4-[(3-chloro-4-methylphenyl)carbamoylamino]pyridine-2-carboxylic acid?
4-[(3-chloro-4-methylphenyl)carbamoylamino]pyridine-2-carboxylic acid has a molecular weight of 305.72 g/mol, XLogP of 3.39, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-chloro-4-methylphenyl)carbamoylamino]pyridine-2-carboxylic acid is sourced from PubChem (CID 63651885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).