N-[4-chloro-3-(5-hydroxy-2-pyridinyl)phenyl]-6-fluoro-2-methylpyridine-3-carboxamide

C18H13ClFN3O2 — CID 58614880

IUPACN-[4-chloro-3-(5-hydroxy-2-pyridinyl)phenyl]-6-fluoro-2-methylpyridine-3-carboxamide
SMILESCc1nc(F)ccc1C(=O)Nc1ccc(Cl)c(-c2ccc(O)cn2)c1
InChIInChI=1S/C18H13ClFN3O2/c1-10-13(4-7-17(20)22-10)18(25)23-11-2-5-15(19)14(8-11)16-6-3-12(24)9-21-16/h2-9,24H,1H3,(H,23,25)
InChIKeyPCGVJXATQDJWKI-UHFFFAOYSA-N
MW357.77 g/mol
LogP4.20
Rot. Bonds3

About N-[4-chloro-3-(5-hydroxy-2-pyridinyl)phenyl]-6-fluoro-2-methylpyridine-3-carboxamide

N-[4-chloro-3-(5-hydroxy-2-pyridinyl)phenyl]-6-fluoro-2-methylpyridine-3-carboxamide (PubChem CID 58614880) has the molecular formula C18H13ClFN3O2 and a molecular weight of 357.77 g/mol. Its IUPAC name is N-[4-chloro-3-(5-hydroxy-2-pyridinyl)phenyl]-6-fluoro-2-methylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-[4-chloro-3-(5-hydroxy-2-pyridinyl)phenyl]-6-fluoro-2-methylpyridine-3-carboxamide
PubChem CID58614880
Molecular FormulaC18H13ClFN3O2
Molecular Weight357.77 g/mol
Exact Mass357.07
IUPAC NameN-[4-chloro-3-(5-hydroxy-2-pyridinyl)phenyl]-6-fluoro-2-methylpyridine-3-carboxamide
SMILESCc1nc(F)ccc1C(=O)Nc1ccc(Cl)c(-c2ccc(O)cn2)c1
InChIInChI=1S/C18H13ClFN3O2/c1-10-13(4-7-17(20)22-10)18(25)23-11-2-5-15(19)14(8-11)16-6-3-12(24)9-21-16/h2-9,24H,1H3,(H,23,25)
InChIKeyPCGVJXATQDJWKI-UHFFFAOYSA-N
XLogP4.20
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.77
LogP ≤ 54.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze N-[4-chloro-3-(5-hydroxy-2-pyridinyl)phenyl]-6-fluoro-2-methylpyridine-3-carboxamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-3-(5-hydroxy-2-pyridinyl)phenyl]-6-fluoro-2-methylpyridine-3-carboxamide?
The IUPAC name of N-[4-chloro-3-(5-hydroxy-2-pyridinyl)phenyl]-6-fluoro-2-methylpyridine-3-carboxamide (CID 58614880) is N-[4-chloro-3-(5-hydroxy-2-pyridinyl)phenyl]-6-fluoro-2-methylpyridine-3-carboxamide.
What is the SMILES notation for N-[4-chloro-3-(5-hydroxy-2-pyridinyl)phenyl]-6-fluoro-2-methylpyridine-3-carboxamide?
The canonical SMILES for N-[4-chloro-3-(5-hydroxy-2-pyridinyl)phenyl]-6-fluoro-2-methylpyridine-3-carboxamide is Cc1nc(F)ccc1C(=O)Nc1ccc(Cl)c(-c2ccc(O)cn2)c1.
What is the InChIKey of N-[4-chloro-3-(5-hydroxy-2-pyridinyl)phenyl]-6-fluoro-2-methylpyridine-3-carboxamide?
The InChIKey is PCGVJXATQDJWKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13ClFN3O2/c1-10-13(4-7-17(20)22-10)18(25)23-11-2-5-15(19)14(8-11)16-6-3-12(24)9-21-16/h2-9,24H,1H3,(H,23,25).
What are the key properties of N-[4-chloro-3-(5-hydroxy-2-pyridinyl)phenyl]-6-fluoro-2-methylpyridine-3-carboxamide?
N-[4-chloro-3-(5-hydroxy-2-pyridinyl)phenyl]-6-fluoro-2-methylpyridine-3-carboxamide has a molecular weight of 357.77 g/mol, XLogP of 4.20, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-3-(5-hydroxy-2-pyridinyl)phenyl]-6-fluoro-2-methylpyridine-3-carboxamide is sourced from PubChem (CID 58614880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).