4-(4,4-difluoropiperidin-1-yl)-2-oxo-1H-1,7-naphthyridine-3-carbonitrile

C14H12F2N4O — CID 138518188

IUPAC4-(4,4-difluoropiperidin-1-yl)-2-oxo-1H-1,7-naphthyridine-3-carbonitrile
SMILESN#Cc1c(N2CCC(F)(F)CC2)c2ccncc2[nH]c1=O
InChIInChI=1S/C14H12F2N4O/c15-14(16)2-5-20(6-3-14)12-9-1-4-18-8-11(9)19-13(21)10(12)7-17/h1,4,8H,2-3,5-6H2,(H,19,21)
InChIKeyRNMIAQVHCZEYKY-UHFFFAOYSA-N
MW290.27 g/mol
LogP2.03
Rot. Bonds1

About 4-(4,4-difluoropiperidin-1-yl)-2-oxo-1H-1,7-naphthyridine-3-carbonitrile

4-(4,4-difluoropiperidin-1-yl)-2-oxo-1H-1,7-naphthyridine-3-carbonitrile (PubChem CID 138518188) has the molecular formula C14H12F2N4O and a molecular weight of 290.27 g/mol. Its IUPAC name is 4-(4,4-difluoropiperidin-1-yl)-2-oxo-1H-1,7-naphthyridine-3-carbonitrile.

Molecular Properties

Compound Name4-(4,4-difluoropiperidin-1-yl)-2-oxo-1H-1,7-naphthyridine-3-carbonitrile
PubChem CID138518188
Molecular FormulaC14H12F2N4O
Molecular Weight290.27 g/mol
Exact Mass290.10
IUPAC Name4-(4,4-difluoropiperidin-1-yl)-2-oxo-1H-1,7-naphthyridine-3-carbonitrile
SMILESN#Cc1c(N2CCC(F)(F)CC2)c2ccncc2[nH]c1=O
InChIInChI=1S/C14H12F2N4O/c15-14(16)2-5-20(6-3-14)12-9-1-4-18-8-11(9)19-13(21)10(12)7-17/h1,4,8H,2-3,5-6H2,(H,19,21)
InChIKeyRNMIAQVHCZEYKY-UHFFFAOYSA-N
XLogP2.03
TPSA72.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.27
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(4,4-difluoropiperidin-1-yl)-2-oxo-1H-1,7-naphthyridine-3-carbonitrile?
The IUPAC name of 4-(4,4-difluoropiperidin-1-yl)-2-oxo-1H-1,7-naphthyridine-3-carbonitrile (CID 138518188) is 4-(4,4-difluoropiperidin-1-yl)-2-oxo-1H-1,7-naphthyridine-3-carbonitrile.
What is the SMILES notation for 4-(4,4-difluoropiperidin-1-yl)-2-oxo-1H-1,7-naphthyridine-3-carbonitrile?
The canonical SMILES for 4-(4,4-difluoropiperidin-1-yl)-2-oxo-1H-1,7-naphthyridine-3-carbonitrile is N#Cc1c(N2CCC(F)(F)CC2)c2ccncc2[nH]c1=O.
What is the InChIKey of 4-(4,4-difluoropiperidin-1-yl)-2-oxo-1H-1,7-naphthyridine-3-carbonitrile?
The InChIKey is RNMIAQVHCZEYKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F2N4O/c15-14(16)2-5-20(6-3-14)12-9-1-4-18-8-11(9)19-13(21)10(12)7-17/h1,4,8H,2-3,5-6H2,(H,19,21).
What are the key properties of 4-(4,4-difluoropiperidin-1-yl)-2-oxo-1H-1,7-naphthyridine-3-carbonitrile?
4-(4,4-difluoropiperidin-1-yl)-2-oxo-1H-1,7-naphthyridine-3-carbonitrile has a molecular weight of 290.27 g/mol, XLogP of 2.03, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4,4-difluoropiperidin-1-yl)-2-oxo-1H-1,7-naphthyridine-3-carbonitrile is sourced from PubChem (CID 138518188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).