4-[(4-cyanophenyl)carbamoylamino]pyridine-2-carboxylic acid

C14H10N4O3 — CID 63650036

IUPAC4-[(4-cyanophenyl)carbamoylamino]pyridine-2-carboxylic acid
SMILESN#Cc1ccc(NC(=O)Nc2ccnc(C(=O)O)c2)cc1
InChIInChI=1S/C14H10N4O3/c15-8-9-1-3-10(4-2-9)17-14(21)18-11-5-6-16-12(7-11)13(19)20/h1-7H,(H,19,20)(H2,16,17,18,21)
InChIKeyKPZMOPGOTYORTC-UHFFFAOYSA-N
MW282.26 g/mol
LogP2.30
Rot. Bonds3

About 4-[(4-cyanophenyl)carbamoylamino]pyridine-2-carboxylic acid

4-[(4-cyanophenyl)carbamoylamino]pyridine-2-carboxylic acid (PubChem CID 63650036) has the molecular formula C14H10N4O3 and a molecular weight of 282.26 g/mol. Its IUPAC name is 4-[(4-cyanophenyl)carbamoylamino]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name4-[(4-cyanophenyl)carbamoylamino]pyridine-2-carboxylic acid
PubChem CID63650036
Molecular FormulaC14H10N4O3
Molecular Weight282.26 g/mol
Exact Mass282.08
IUPAC Name4-[(4-cyanophenyl)carbamoylamino]pyridine-2-carboxylic acid
SMILESN#Cc1ccc(NC(=O)Nc2ccnc(C(=O)O)c2)cc1
InChIInChI=1S/C14H10N4O3/c15-8-9-1-3-10(4-2-9)17-14(21)18-11-5-6-16-12(7-11)13(19)20/h1-7H,(H,19,20)(H2,16,17,18,21)
InChIKeyKPZMOPGOTYORTC-UHFFFAOYSA-N
XLogP2.30
TPSA115.11 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.26
LogP ≤ 52.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 4-[(4-cyanophenyl)carbamoylamino]pyridine-2-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-anilino-N-(4-cyanophenyl)pyridine-2-carboxamide
CID 109218921
4-[(3-chloro-4-methylphenyl)carbamoylamino]pyridine-2-carboxylic acid
CID 63651885
3-[(4-cyanophenyl)carbamoylamino]benzoic acid
CID 16786471
N-(4-cyanophenyl)-4-(propan-2-ylamino)pyridine-2-carboxamide
CID 109201674
4-(2-chloro-4-cyanoanilino)pyridine-2-carboxylic acid
CID 107808817
N-(3-chloro-4-methylphenyl)-4-(4-cyanoanilino)pyridine-2-carboxamide
CID 109221263
4-(4-cyanoanilino)-N-(3-cyanophenyl)pyridine-2-carboxamide
CID 109222713
4-(4-cyanophenoxy)pyridine-2-carboxylic acid
CID 43142929
1-(4-cyanophenyl)-3-pyridin-2-ylurea
CID 108894633
4-[(2-fluorophenyl)carbamoylamino]pyridine-2-carboxylic acid
CID 63651767
N-[3-[(4-cyanophenyl)carbamoylamino]phenyl]acetamide
CID 108884114
1-(3-cyanophenyl)-3-pyridin-4-ylurea
CID 110706525

Frequently Asked Questions

What is the IUPAC name of 4-[(4-cyanophenyl)carbamoylamino]pyridine-2-carboxylic acid?
The IUPAC name of 4-[(4-cyanophenyl)carbamoylamino]pyridine-2-carboxylic acid (CID 63650036) is 4-[(4-cyanophenyl)carbamoylamino]pyridine-2-carboxylic acid.
What is the SMILES notation for 4-[(4-cyanophenyl)carbamoylamino]pyridine-2-carboxylic acid?
The canonical SMILES for 4-[(4-cyanophenyl)carbamoylamino]pyridine-2-carboxylic acid is N#Cc1ccc(NC(=O)Nc2ccnc(C(=O)O)c2)cc1.
What is the InChIKey of 4-[(4-cyanophenyl)carbamoylamino]pyridine-2-carboxylic acid?
The InChIKey is KPZMOPGOTYORTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N4O3/c15-8-9-1-3-10(4-2-9)17-14(21)18-11-5-6-16-12(7-11)13(19)20/h1-7H,(H,19,20)(H2,16,17,18,21).
What are the key properties of 4-[(4-cyanophenyl)carbamoylamino]pyridine-2-carboxylic acid?
4-[(4-cyanophenyl)carbamoylamino]pyridine-2-carboxylic acid has a molecular weight of 282.26 g/mol, XLogP of 2.30, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-cyanophenyl)carbamoylamino]pyridine-2-carboxylic acid is sourced from PubChem (CID 63650036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).