6-[4-cyano-5-(4-fluorophenyl)-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide

C21H16FN5O — CID 86305368

IUPAC6-[4-cyano-5-(4-fluorophenyl)-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
SMILESN#Cc1c(-c2ccc(F)cc2)cncc1-c1cnc2c(c1)CCCN2C(N)=O
InChIInChI=1S/C21H16FN5O/c22-16-5-3-13(4-6-16)18-11-25-12-19(17(18)9-23)15-8-14-2-1-7-27(21(24)28)20(14)26-10-15/h3-6,8,10-12H,1-2,7H2,(H2,24,28)
InChIKeySOJFJDSLKCHXDI-UHFFFAOYSA-N
MW373.39 g/mol
LogP3.65
Rot. Bonds2

About 6-[4-cyano-5-(4-fluorophenyl)-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide

6-[4-cyano-5-(4-fluorophenyl)-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide (PubChem CID 86305368) has the molecular formula C21H16FN5O and a molecular weight of 373.39 g/mol. Its IUPAC name is 6-[4-cyano-5-(4-fluorophenyl)-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide.

Molecular Properties

Compound Name6-[4-cyano-5-(4-fluorophenyl)-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
PubChem CID86305368
Molecular FormulaC21H16FN5O
Molecular Weight373.39 g/mol
Exact Mass373.13
IUPAC Name6-[4-cyano-5-(4-fluorophenyl)-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
SMILESN#Cc1c(-c2ccc(F)cc2)cncc1-c1cnc2c(c1)CCCN2C(N)=O
InChIInChI=1S/C21H16FN5O/c22-16-5-3-13(4-6-16)18-11-25-12-19(17(18)9-23)15-8-14-2-1-7-27(21(24)28)20(14)26-10-15/h3-6,8,10-12H,1-2,7H2,(H2,24,28)
InChIKeySOJFJDSLKCHXDI-UHFFFAOYSA-N
XLogP3.65
TPSA95.90 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.39
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-[4-cyano-5-(4-fluorophenyl)-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide?
The IUPAC name of 6-[4-cyano-5-(4-fluorophenyl)-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide (CID 86305368) is 6-[4-cyano-5-(4-fluorophenyl)-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide.
What is the SMILES notation for 6-[4-cyano-5-(4-fluorophenyl)-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide?
The canonical SMILES for 6-[4-cyano-5-(4-fluorophenyl)-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide is N#Cc1c(-c2ccc(F)cc2)cncc1-c1cnc2c(c1)CCCN2C(N)=O.
What is the InChIKey of 6-[4-cyano-5-(4-fluorophenyl)-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide?
The InChIKey is SOJFJDSLKCHXDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16FN5O/c22-16-5-3-13(4-6-16)18-11-25-12-19(17(18)9-23)15-8-14-2-1-7-27(21(24)28)20(14)26-10-15/h3-6,8,10-12H,1-2,7H2,(H2,24,28).
What are the key properties of 6-[4-cyano-5-(4-fluorophenyl)-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide?
6-[4-cyano-5-(4-fluorophenyl)-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide has a molecular weight of 373.39 g/mol, XLogP of 3.65, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-cyano-5-(4-fluorophenyl)-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide is sourced from PubChem (CID 86305368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).