N-[4-amino-3-(1,2-oxazole-4-carboximidoyl)phenyl]-3-chloro-5-cyanopyridine-2-carboxamide

C17H11ClN6O2 — CID 155482677

IUPACN-[4-amino-3-(1,2-oxazole-4-carboximidoyl)phenyl]-3-chloro-5-cyanopyridine-2-carboxamide
SMILES[H]/N=C(\c1cnoc1)c1cc(NC(=O)c2ncc(C#N)cc2Cl)ccc1N
InChIInChI=1S/C17H11ClN6O2/c18-13-3-9(5-19)6-22-16(13)17(25)24-11-1-2-14(20)12(4-11)15(21)10-7-23-26-8-10/h1-4,6-8,21H,20H2,(H,24,25)/b21-15+
InChIKeyFFMLXBAVJCTHFZ-RCCKNPSSSA-N
MW366.77 g/mol
LogP2.85
Rot. Bonds4

About N-[4-amino-3-(1,2-oxazole-4-carboximidoyl)phenyl]-3-chloro-5-cyanopyridine-2-carboxamide

N-[4-amino-3-(1,2-oxazole-4-carboximidoyl)phenyl]-3-chloro-5-cyanopyridine-2-carboxamide (PubChem CID 155482677) has the molecular formula C17H11ClN6O2 and a molecular weight of 366.77 g/mol. Its IUPAC name is N-[4-amino-3-(1,2-oxazole-4-carboximidoyl)phenyl]-3-chloro-5-cyanopyridine-2-carboxamide.

Molecular Properties

Compound NameN-[4-amino-3-(1,2-oxazole-4-carboximidoyl)phenyl]-3-chloro-5-cyanopyridine-2-carboxamide
PubChem CID155482677
Molecular FormulaC17H11ClN6O2
Molecular Weight366.77 g/mol
Exact Mass366.06
IUPAC NameN-[4-amino-3-(1,2-oxazole-4-carboximidoyl)phenyl]-3-chloro-5-cyanopyridine-2-carboxamide
SMILES[H]/N=C(\c1cnoc1)c1cc(NC(=O)c2ncc(C#N)cc2Cl)ccc1N
InChIInChI=1S/C17H11ClN6O2/c18-13-3-9(5-19)6-22-16(13)17(25)24-11-1-2-14(20)12(4-11)15(21)10-7-23-26-8-10/h1-4,6-8,21H,20H2,(H,24,25)/b21-15+
InChIKeyFFMLXBAVJCTHFZ-RCCKNPSSSA-N
XLogP2.85
TPSA141.68 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.77
LogP ≤ 52.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze N-[4-amino-3-(1,2-oxazole-4-carboximidoyl)phenyl]-3-chloro-5-cyanopyridine-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

N-[4-amino-3-(1,2-oxazole-4-carboximidoyl)phenyl]-4-cyano-1,3-dimethylpyrrole-2-carboxamide
CID 155575010
N-[4-amino-3-(6-methylpyridazine-4-carboximidoyl)phenyl]-5-cyano-3-methylpyridine-2-carboxamide
CID 155482723
N-[4-amino-3-(furan-3-carboximidoyl)phenyl]-4-chloro-5-cyanopyridine-2-carboxamide
CID 155481986
N-[4-amino-3-(5-propan-2-yloxypyridine-3-carboximidoyl)phenyl]-5-cyano-3-methylpyridine-2-carboxamide
CID 155482084
N-[4-amino-3-(3-cyclopropylbenzenecarboximidoyl)phenyl]-5-cyano-3-methylpyridine-2-carboxamide
CID 155482000
N-[4-amino-3-(6-methylpyridine-2-carboximidoyl)phenyl]-5-cyano-3-methylpyridine-2-carboxamide
CID 155481963
N-(4-amino-3-ethanimidoylphenyl)-5-cyano-3-prop-1-en-2-ylpyridine-2-carboxamide
CID 155482411
N-[4-amino-3-(2-methyl-1,3-oxazole-5-carboximidoyl)phenyl]-5-cyano-3,4-dimethylpyridine-2-carboxamide
CID 155482169
N-[4-amino-3-(oxetane-3-carboximidoyl)phenyl]-5-cyano-3-methylpyridine-2-carboxamide
CID 155482246
N-[4-amino-3-(furan-3-carboximidoyl)phenyl]-4-cyano-2-fluorobenzamide
CID 155482453
N-[4-amino-3-(furan-3-carboximidoyl)phenyl]-4-cyano-2-methylbenzamide
CID 155481757
N-[4-amino-3-(1,3-oxazole-5-carboximidoyl)phenyl]-5-cyano-3-methyl-4-(trifluoromethyl)pyridine-2-carboxamide;molecular hydrogen
CID 155574812

Frequently Asked Questions

What is the IUPAC name of N-[4-amino-3-(1,2-oxazole-4-carboximidoyl)phenyl]-3-chloro-5-cyanopyridine-2-carboxamide?
The IUPAC name of N-[4-amino-3-(1,2-oxazole-4-carboximidoyl)phenyl]-3-chloro-5-cyanopyridine-2-carboxamide (CID 155482677) is N-[4-amino-3-(1,2-oxazole-4-carboximidoyl)phenyl]-3-chloro-5-cyanopyridine-2-carboxamide.
What is the SMILES notation for N-[4-amino-3-(1,2-oxazole-4-carboximidoyl)phenyl]-3-chloro-5-cyanopyridine-2-carboxamide?
The canonical SMILES for N-[4-amino-3-(1,2-oxazole-4-carboximidoyl)phenyl]-3-chloro-5-cyanopyridine-2-carboxamide is [H]/N=C(\c1cnoc1)c1cc(NC(=O)c2ncc(C#N)cc2Cl)ccc1N.
What is the InChIKey of N-[4-amino-3-(1,2-oxazole-4-carboximidoyl)phenyl]-3-chloro-5-cyanopyridine-2-carboxamide?
The InChIKey is FFMLXBAVJCTHFZ-RCCKNPSSSA-N. The full InChI is InChI=1S/C17H11ClN6O2/c18-13-3-9(5-19)6-22-16(13)17(25)24-11-1-2-14(20)12(4-11)15(21)10-7-23-26-8-10/h1-4,6-8,21H,20H2,(H,24,25)/b21-15+.
What are the key properties of N-[4-amino-3-(1,2-oxazole-4-carboximidoyl)phenyl]-3-chloro-5-cyanopyridine-2-carboxamide?
N-[4-amino-3-(1,2-oxazole-4-carboximidoyl)phenyl]-3-chloro-5-cyanopyridine-2-carboxamide has a molecular weight of 366.77 g/mol, XLogP of 2.85, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-amino-3-(1,2-oxazole-4-carboximidoyl)phenyl]-3-chloro-5-cyanopyridine-2-carboxamide is sourced from PubChem (CID 155482677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).