4,4-difluoro-6-pyridin-3-yl-2,3-dihydro-1,8-naphthyridine-1-carboxamide

C14H12F2N4O — CID 86305809

IUPAC4,4-difluoro-6-pyridin-3-yl-2,3-dihydro-1,8-naphthyridine-1-carboxamide
SMILESNC(=O)N1CCC(F)(F)c2cc(-c3cccnc3)cnc21
InChIInChI=1S/C14H12F2N4O/c15-14(16)3-5-20(13(17)21)12-11(14)6-10(8-19-12)9-2-1-4-18-7-9/h1-2,4,6-8H,3,5H2,(H2,17,21)
InChIKeyJXHBBNCPTVFWQK-UHFFFAOYSA-N
MW290.27 g/mol
LogP2.52
Rot. Bonds1

About 4,4-difluoro-6-pyridin-3-yl-2,3-dihydro-1,8-naphthyridine-1-carboxamide

4,4-difluoro-6-pyridin-3-yl-2,3-dihydro-1,8-naphthyridine-1-carboxamide (PubChem CID 86305809) has the molecular formula C14H12F2N4O and a molecular weight of 290.27 g/mol. Its IUPAC name is 4,4-difluoro-6-pyridin-3-yl-2,3-dihydro-1,8-naphthyridine-1-carboxamide.

Molecular Properties

Compound Name4,4-difluoro-6-pyridin-3-yl-2,3-dihydro-1,8-naphthyridine-1-carboxamide
PubChem CID86305809
Molecular FormulaC14H12F2N4O
Molecular Weight290.27 g/mol
Exact Mass290.10
IUPAC Name4,4-difluoro-6-pyridin-3-yl-2,3-dihydro-1,8-naphthyridine-1-carboxamide
SMILESNC(=O)N1CCC(F)(F)c2cc(-c3cccnc3)cnc21
InChIInChI=1S/C14H12F2N4O/c15-14(16)3-5-20(13(17)21)12-11(14)6-10(8-19-12)9-2-1-4-18-7-9/h1-2,4,6-8H,3,5H2,(H2,17,21)
InChIKeyJXHBBNCPTVFWQK-UHFFFAOYSA-N
XLogP2.52
TPSA72.11 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.27
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4,4-difluoro-6-pyridin-3-yl-2,3-dihydro-1,8-naphthyridine-1-carboxamide?
The IUPAC name of 4,4-difluoro-6-pyridin-3-yl-2,3-dihydro-1,8-naphthyridine-1-carboxamide (CID 86305809) is 4,4-difluoro-6-pyridin-3-yl-2,3-dihydro-1,8-naphthyridine-1-carboxamide.
What is the SMILES notation for 4,4-difluoro-6-pyridin-3-yl-2,3-dihydro-1,8-naphthyridine-1-carboxamide?
The canonical SMILES for 4,4-difluoro-6-pyridin-3-yl-2,3-dihydro-1,8-naphthyridine-1-carboxamide is NC(=O)N1CCC(F)(F)c2cc(-c3cccnc3)cnc21.
What is the InChIKey of 4,4-difluoro-6-pyridin-3-yl-2,3-dihydro-1,8-naphthyridine-1-carboxamide?
The InChIKey is JXHBBNCPTVFWQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F2N4O/c15-14(16)3-5-20(13(17)21)12-11(14)6-10(8-19-12)9-2-1-4-18-7-9/h1-2,4,6-8H,3,5H2,(H2,17,21).
What are the key properties of 4,4-difluoro-6-pyridin-3-yl-2,3-dihydro-1,8-naphthyridine-1-carboxamide?
4,4-difluoro-6-pyridin-3-yl-2,3-dihydro-1,8-naphthyridine-1-carboxamide has a molecular weight of 290.27 g/mol, XLogP of 2.52, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-difluoro-6-pyridin-3-yl-2,3-dihydro-1,8-naphthyridine-1-carboxamide is sourced from PubChem (CID 86305809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).