2-chloro-N-[4-(2-fluoro-4-methoxyphenyl)-3-pyridinyl]pyridine-4-carboxamide

C18H13ClFN3O2 — CID 118064118

IUPAC2-chloro-N-[4-(2-fluoro-4-methoxyphenyl)-3-pyridinyl]pyridine-4-carboxamide
SMILESCOc1ccc(-c2ccncc2NC(=O)c2ccnc(Cl)c2)c(F)c1
InChIInChI=1S/C18H13ClFN3O2/c1-25-12-2-3-13(15(20)9-12)14-5-6-21-10-16(14)23-18(24)11-4-7-22-17(19)8-11/h2-10H,1H3,(H,23,24)
InChIKeyWRFGZJBXFZSISM-UHFFFAOYSA-N
MW357.77 g/mol
LogP4.20
Rot. Bonds4

About 2-chloro-N-[4-(2-fluoro-4-methoxyphenyl)-3-pyridinyl]pyridine-4-carboxamide

2-chloro-N-[4-(2-fluoro-4-methoxyphenyl)-3-pyridinyl]pyridine-4-carboxamide (PubChem CID 118064118) has the molecular formula C18H13ClFN3O2 and a molecular weight of 357.77 g/mol. Its IUPAC name is 2-chloro-N-[4-(2-fluoro-4-methoxyphenyl)-3-pyridinyl]pyridine-4-carboxamide.

Molecular Properties

Compound Name2-chloro-N-[4-(2-fluoro-4-methoxyphenyl)-3-pyridinyl]pyridine-4-carboxamide
PubChem CID118064118
Molecular FormulaC18H13ClFN3O2
Molecular Weight357.77 g/mol
Exact Mass357.07
IUPAC Name2-chloro-N-[4-(2-fluoro-4-methoxyphenyl)-3-pyridinyl]pyridine-4-carboxamide
SMILESCOc1ccc(-c2ccncc2NC(=O)c2ccnc(Cl)c2)c(F)c1
InChIInChI=1S/C18H13ClFN3O2/c1-25-12-2-3-13(15(20)9-12)14-5-6-21-10-16(14)23-18(24)11-4-7-22-17(19)8-11/h2-10H,1H3,(H,23,24)
InChIKeyWRFGZJBXFZSISM-UHFFFAOYSA-N
XLogP4.20
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.77
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2-bromo-5-methoxyphenyl)-2-chloropyridine-4-carboxamide
CID 62415651
2-chloro-N-(4-methyl-3-pyridinyl)pyridine-4-carboxamide;ethane
CID 144842731
2-chloro-N-(4-iodo-3-pyridinyl)pyridine-4-carboxamide
CID 118063649
2-chloro-N-(4,5-dimethoxy-2-methylphenyl)pyridine-4-carboxamide
CID 32694497
2-chloro-N-(3-hydroxy-4-methoxyphenyl)pyridine-4-carboxamide
CID 60693051
4-[(2-chloropyridine-4-carbonyl)amino]-3-fluorobenzoic acid
CID 103871818
N-(3-fluoro-4-pyridinyl)-3-hydroxy-4-methoxybenzamide
CID 103874413
2-chloro-N-(2-methyl-4-pyrimidin-2-yloxyphenyl)pyridine-4-carboxamide
CID 48667099
2-N-(3-chloro-4-fluorophenyl)-4-N-(3-methoxyphenyl)pyridine-2,4-dicarboxamide
CID 109092970
4-N-(2,5-dimethoxyphenyl)-2-N-(2-fluorophenyl)pyridine-2,4-dicarboxamide
CID 109092655
N-(2-amino-4-methoxyphenyl)pyridine-4-carboxamide
CID 16776915
N-[4-(4-fluoro-2-methoxyphenyl)-3-pyridinyl]acetamide
CID 140628304

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[4-(2-fluoro-4-methoxyphenyl)-3-pyridinyl]pyridine-4-carboxamide?
The IUPAC name of 2-chloro-N-[4-(2-fluoro-4-methoxyphenyl)-3-pyridinyl]pyridine-4-carboxamide (CID 118064118) is 2-chloro-N-[4-(2-fluoro-4-methoxyphenyl)-3-pyridinyl]pyridine-4-carboxamide.
What is the SMILES notation for 2-chloro-N-[4-(2-fluoro-4-methoxyphenyl)-3-pyridinyl]pyridine-4-carboxamide?
The canonical SMILES for 2-chloro-N-[4-(2-fluoro-4-methoxyphenyl)-3-pyridinyl]pyridine-4-carboxamide is COc1ccc(-c2ccncc2NC(=O)c2ccnc(Cl)c2)c(F)c1.
What is the InChIKey of 2-chloro-N-[4-(2-fluoro-4-methoxyphenyl)-3-pyridinyl]pyridine-4-carboxamide?
The InChIKey is WRFGZJBXFZSISM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13ClFN3O2/c1-25-12-2-3-13(15(20)9-12)14-5-6-21-10-16(14)23-18(24)11-4-7-22-17(19)8-11/h2-10H,1H3,(H,23,24).
What are the key properties of 2-chloro-N-[4-(2-fluoro-4-methoxyphenyl)-3-pyridinyl]pyridine-4-carboxamide?
2-chloro-N-[4-(2-fluoro-4-methoxyphenyl)-3-pyridinyl]pyridine-4-carboxamide has a molecular weight of 357.77 g/mol, XLogP of 4.20, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[4-(2-fluoro-4-methoxyphenyl)-3-pyridinyl]pyridine-4-carboxamide is sourced from PubChem (CID 118064118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).