3-chloro-N-[2-(N'-hydroxycarbamimidoyl)phenyl]pyridine-4-carboxamide

C13H11ClN4O2 — CID 77135119

IUPAC3-chloro-N-[2-(N'-hydroxycarbamimidoyl)phenyl]pyridine-4-carboxamide
SMILESNC(=NO)c1ccccc1NC(=O)c1ccncc1Cl
InChIInChI=1S/C13H11ClN4O2/c14-10-7-16-6-5-8(10)13(19)17-11-4-2-1-3-9(11)12(15)18-20/h1-7,20H,(H2,15,18)(H,17,19)
InChIKeyIIAFVNKMKUDDIA-UHFFFAOYSA-N
MW290.71 g/mol
LogP2.08
Rot. Bonds3

About 3-chloro-N-[2-(N'-hydroxycarbamimidoyl)phenyl]pyridine-4-carboxamide

3-chloro-N-[2-(N'-hydroxycarbamimidoyl)phenyl]pyridine-4-carboxamide (PubChem CID 77135119) has the molecular formula C13H11ClN4O2 and a molecular weight of 290.71 g/mol. Its IUPAC name is 3-chloro-N-[2-(N'-hydroxycarbamimidoyl)phenyl]pyridine-4-carboxamide.

Molecular Properties

Compound Name3-chloro-N-[2-(N'-hydroxycarbamimidoyl)phenyl]pyridine-4-carboxamide
PubChem CID77135119
Molecular FormulaC13H11ClN4O2
Molecular Weight290.71 g/mol
Exact Mass290.06
IUPAC Name3-chloro-N-[2-(N'-hydroxycarbamimidoyl)phenyl]pyridine-4-carboxamide
SMILESNC(=NO)c1ccccc1NC(=O)c1ccncc1Cl
InChIInChI=1S/C13H11ClN4O2/c14-10-7-16-6-5-8(10)13(19)17-11-4-2-1-3-9(11)12(15)18-20/h1-7,20H,(H2,15,18)(H,17,19)
InChIKeyIIAFVNKMKUDDIA-UHFFFAOYSA-N
XLogP2.08
TPSA100.60 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.71
LogP ≤ 52.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 3-chloro-N-[2-(N'-hydroxycarbamimidoyl)phenyl]pyridine-4-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-chloro-N-(2-hydroxyphenyl)pyridine-4-carboxamide
CID 103715642
3-chloro-N-(2-ethylphenyl)pyridine-4-carboxamide
CID 66462437
3-chloro-N-(2,3-dimethylphenyl)pyridine-4-carboxamide
CID 66462249
3-chloro-N-(2-propylphenyl)pyridine-4-carboxamide
CID 66482935
3-amino-N-(2-chlorophenyl)pyridine-4-carboxamide
CID 23633071
5-chloro-N-[2-[(E)-N'-hydroxycarbamimidoyl]phenyl]thiophene-2-carboxamide
CID 55037454
N-[2-[(Z)-N'-hydroxycarbamimidoyl]phenyl]acetamide
CID 139085269
4-chloro-3-fluoro-N-[2-[(E)-N'-hydroxycarbamimidoyl]phenyl]benzamide
CID 107992341
5-fluoro-N-[2-[(E)-N'-hydroxycarbamimidoyl]phenyl]pyridine-3-carboxamide
CID 104786338
3-chloro-N-(3-fluoro-2-methylphenyl)pyridine-4-carboxamide
CID 66484528
N-(2-chlorophenyl)-3-hydroxypyridine-4-carboxamide
CID 81443413
2-[(3-chloropyridine-4-carbonyl)amino]-5-hydroxybenzoic acid
CID 66463779

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[2-(N'-hydroxycarbamimidoyl)phenyl]pyridine-4-carboxamide?
The IUPAC name of 3-chloro-N-[2-(N'-hydroxycarbamimidoyl)phenyl]pyridine-4-carboxamide (CID 77135119) is 3-chloro-N-[2-(N'-hydroxycarbamimidoyl)phenyl]pyridine-4-carboxamide.
What is the SMILES notation for 3-chloro-N-[2-(N'-hydroxycarbamimidoyl)phenyl]pyridine-4-carboxamide?
The canonical SMILES for 3-chloro-N-[2-(N'-hydroxycarbamimidoyl)phenyl]pyridine-4-carboxamide is NC(=NO)c1ccccc1NC(=O)c1ccncc1Cl.
What is the InChIKey of 3-chloro-N-[2-(N'-hydroxycarbamimidoyl)phenyl]pyridine-4-carboxamide?
The InChIKey is IIAFVNKMKUDDIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClN4O2/c14-10-7-16-6-5-8(10)13(19)17-11-4-2-1-3-9(11)12(15)18-20/h1-7,20H,(H2,15,18)(H,17,19).
What are the key properties of 3-chloro-N-[2-(N'-hydroxycarbamimidoyl)phenyl]pyridine-4-carboxamide?
3-chloro-N-[2-(N'-hydroxycarbamimidoyl)phenyl]pyridine-4-carboxamide has a molecular weight of 290.71 g/mol, XLogP of 2.08, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[2-(N'-hydroxycarbamimidoyl)phenyl]pyridine-4-carboxamide is sourced from PubChem (CID 77135119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).