6-(2-chloro-6-methyl-4-pyridinyl)-7-(4-fluorophenyl)-4-oxo-1H-1,8-naphthyridine-2-carboxamide

C21H14ClFN4O2 — CID 137438863

IUPAC6-(2-chloro-6-methyl-4-pyridinyl)-7-(4-fluorophenyl)-4-oxo-1H-1,8-naphthyridine-2-carboxamide
SMILESCc1cc(-c2cc3c(=O)cc(C(N)=O)[nH]c3nc2-c2ccc(F)cc2)cc(Cl)n1
InChIInChI=1S/C21H14ClFN4O2/c1-10-6-12(7-18(22)25-10)14-8-15-17(28)9-16(20(24)29)26-21(15)27-19(14)11-2-4-13(23)5-3-11/h2-9H,1H3,(H2,24,29)(H,26,27,28)
InChIKeyPTDWJRJJRKAPCF-UHFFFAOYSA-N
MW408.82 g/mol
LogP3.85
Rot. Bonds3

About 6-(2-chloro-6-methyl-4-pyridinyl)-7-(4-fluorophenyl)-4-oxo-1H-1,8-naphthyridine-2-carboxamide

6-(2-chloro-6-methyl-4-pyridinyl)-7-(4-fluorophenyl)-4-oxo-1H-1,8-naphthyridine-2-carboxamide (PubChem CID 137438863) has the molecular formula C21H14ClFN4O2 and a molecular weight of 408.82 g/mol. Its IUPAC name is 6-(2-chloro-6-methyl-4-pyridinyl)-7-(4-fluorophenyl)-4-oxo-1H-1,8-naphthyridine-2-carboxamide.

Molecular Properties

Compound Name6-(2-chloro-6-methyl-4-pyridinyl)-7-(4-fluorophenyl)-4-oxo-1H-1,8-naphthyridine-2-carboxamide
PubChem CID137438863
Molecular FormulaC21H14ClFN4O2
Molecular Weight408.82 g/mol
Exact Mass408.08
IUPAC Name6-(2-chloro-6-methyl-4-pyridinyl)-7-(4-fluorophenyl)-4-oxo-1H-1,8-naphthyridine-2-carboxamide
SMILESCc1cc(-c2cc3c(=O)cc(C(N)=O)[nH]c3nc2-c2ccc(F)cc2)cc(Cl)n1
InChIInChI=1S/C21H14ClFN4O2/c1-10-6-12(7-18(22)25-10)14-8-15-17(28)9-16(20(24)29)26-21(15)27-19(14)11-2-4-13(23)5-3-11/h2-9H,1H3,(H2,24,29)(H,26,27,28)
InChIKeyPTDWJRJJRKAPCF-UHFFFAOYSA-N
XLogP3.85
TPSA101.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.82
LogP ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-(2-chloro-6-methyl-4-pyridinyl)-7-(4-fluorophenyl)-4-oxo-1H-1,8-naphthyridine-2-carboxamide?
The IUPAC name of 6-(2-chloro-6-methyl-4-pyridinyl)-7-(4-fluorophenyl)-4-oxo-1H-1,8-naphthyridine-2-carboxamide (CID 137438863) is 6-(2-chloro-6-methyl-4-pyridinyl)-7-(4-fluorophenyl)-4-oxo-1H-1,8-naphthyridine-2-carboxamide.
What is the SMILES notation for 6-(2-chloro-6-methyl-4-pyridinyl)-7-(4-fluorophenyl)-4-oxo-1H-1,8-naphthyridine-2-carboxamide?
The canonical SMILES for 6-(2-chloro-6-methyl-4-pyridinyl)-7-(4-fluorophenyl)-4-oxo-1H-1,8-naphthyridine-2-carboxamide is Cc1cc(-c2cc3c(=O)cc(C(N)=O)[nH]c3nc2-c2ccc(F)cc2)cc(Cl)n1.
What is the InChIKey of 6-(2-chloro-6-methyl-4-pyridinyl)-7-(4-fluorophenyl)-4-oxo-1H-1,8-naphthyridine-2-carboxamide?
The InChIKey is PTDWJRJJRKAPCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14ClFN4O2/c1-10-6-12(7-18(22)25-10)14-8-15-17(28)9-16(20(24)29)26-21(15)27-19(14)11-2-4-13(23)5-3-11/h2-9H,1H3,(H2,24,29)(H,26,27,28).
What are the key properties of 6-(2-chloro-6-methyl-4-pyridinyl)-7-(4-fluorophenyl)-4-oxo-1H-1,8-naphthyridine-2-carboxamide?
6-(2-chloro-6-methyl-4-pyridinyl)-7-(4-fluorophenyl)-4-oxo-1H-1,8-naphthyridine-2-carboxamide has a molecular weight of 408.82 g/mol, XLogP of 3.85, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-chloro-6-methyl-4-pyridinyl)-7-(4-fluorophenyl)-4-oxo-1H-1,8-naphthyridine-2-carboxamide is sourced from PubChem (CID 137438863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).