3-amino-N-[4-(carbamoylamino)phenyl]pyridine-2-carboxamide

C13H13N5O2 — CID 104741358

IUPAC3-amino-N-[4-(carbamoylamino)phenyl]pyridine-2-carboxamide
SMILESNC(=O)Nc1ccc(NC(=O)c2ncccc2N)cc1
InChIInChI=1S/C13H13N5O2/c14-10-2-1-7-16-11(10)12(19)17-8-3-5-9(6-4-8)18-13(15)20/h1-7H,14H2,(H,17,19)(H3,15,18,20)
InChIKeyRVMXOCYLMQDPTE-UHFFFAOYSA-N
MW271.28 g/mol
LogP1.41
Rot. Bonds3

About 3-amino-N-[4-(carbamoylamino)phenyl]pyridine-2-carboxamide

3-amino-N-[4-(carbamoylamino)phenyl]pyridine-2-carboxamide (PubChem CID 104741358) has the molecular formula C13H13N5O2 and a molecular weight of 271.28 g/mol. Its IUPAC name is 3-amino-N-[4-(carbamoylamino)phenyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-[4-(carbamoylamino)phenyl]pyridine-2-carboxamide
PubChem CID104741358
Molecular FormulaC13H13N5O2
Molecular Weight271.28 g/mol
Exact Mass271.11
IUPAC Name3-amino-N-[4-(carbamoylamino)phenyl]pyridine-2-carboxamide
SMILESNC(=O)Nc1ccc(NC(=O)c2ncccc2N)cc1
InChIInChI=1S/C13H13N5O2/c14-10-2-1-7-16-11(10)12(19)17-8-3-5-9(6-4-8)18-13(15)20/h1-7H,14H2,(H,17,19)(H3,15,18,20)
InChIKeyRVMXOCYLMQDPTE-UHFFFAOYSA-N
XLogP1.41
TPSA123.13 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.28
LogP ≤ 51.41
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze 3-amino-N-[4-(carbamoylamino)phenyl]pyridine-2-carboxamide 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

3-amino-N-(4-cyanophenyl)pyridine-2-carboxamide
CID 104740905
3-amino-N-[4-(2-hydroxyethyl)phenyl]pyridine-2-carboxamide
CID 104741943
3-amino-N-[4-(ethylcarbamoyl)phenyl]pyridine-2-carboxamide
CID 104741386
5-[(3-aminopyridine-2-carbonyl)amino]pyridine-2-carboxylic acid
CID 104742707
3-[(3-aminopyridine-2-carbonyl)amino]benzoic acid
CID 104741844
3-amino-N-(1,3-benzodioxol-5-yl)pyridine-2-carboxamide
CID 104740959
N-(3-acetamido-4-fluorophenyl)-3-aminopyridine-2-carboxamide
CID 104741465
3-amino-N-[4-chloro-3-(methylcarbamoyl)phenyl]pyridine-2-carboxamide
CID 104741490
2-bromo-N-[4-(carbamoylamino)phenyl]pyridine-3-carboxamide
CID 103752138
3-amino-N-(3-chloro-2-pyridinyl)pyridine-2-carboxamide
CID 103094260
3-amino-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyridine-2-carboxamide
CID 104740829
CID 154643103
CID 154643103

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[4-(carbamoylamino)phenyl]pyridine-2-carboxamide?
The IUPAC name of 3-amino-N-[4-(carbamoylamino)phenyl]pyridine-2-carboxamide (CID 104741358) is 3-amino-N-[4-(carbamoylamino)phenyl]pyridine-2-carboxamide.
What is the SMILES notation for 3-amino-N-[4-(carbamoylamino)phenyl]pyridine-2-carboxamide?
The canonical SMILES for 3-amino-N-[4-(carbamoylamino)phenyl]pyridine-2-carboxamide is NC(=O)Nc1ccc(NC(=O)c2ncccc2N)cc1.
What is the InChIKey of 3-amino-N-[4-(carbamoylamino)phenyl]pyridine-2-carboxamide?
The InChIKey is RVMXOCYLMQDPTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N5O2/c14-10-2-1-7-16-11(10)12(19)17-8-3-5-9(6-4-8)18-13(15)20/h1-7H,14H2,(H,17,19)(H3,15,18,20).
What are the key properties of 3-amino-N-[4-(carbamoylamino)phenyl]pyridine-2-carboxamide?
3-amino-N-[4-(carbamoylamino)phenyl]pyridine-2-carboxamide has a molecular weight of 271.28 g/mol, XLogP of 1.41, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[4-(carbamoylamino)phenyl]pyridine-2-carboxamide is sourced from PubChem (CID 104741358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).