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

C13H13FN4O — CID 138518512

IUPAC4-(3-fluorobutylamino)-2-oxo-1H-1,7-naphthyridine-3-carbonitrile
SMILESCC(F)CCNc1c(C#N)c(=O)[nH]c2cnccc12
InChIInChI=1S/C13H13FN4O/c1-8(14)2-5-17-12-9-3-4-16-7-11(9)18-13(19)10(12)6-15/h3-4,7-8H,2,5H2,1H3,(H2,17,18,19)
InChIKeyNLADIKTVPNLCMD-UHFFFAOYSA-N
MW260.27 g/mol
LogP1.95
Rot. Bonds4

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

4-(3-fluorobutylamino)-2-oxo-1H-1,7-naphthyridine-3-carbonitrile (PubChem CID 138518512) has the molecular formula C13H13FN4O and a molecular weight of 260.27 g/mol. Its IUPAC name is 4-(3-fluorobutylamino)-2-oxo-1H-1,7-naphthyridine-3-carbonitrile.

Molecular Properties

Compound Name4-(3-fluorobutylamino)-2-oxo-1H-1,7-naphthyridine-3-carbonitrile
PubChem CID138518512
Molecular FormulaC13H13FN4O
Molecular Weight260.27 g/mol
Exact Mass260.11
IUPAC Name4-(3-fluorobutylamino)-2-oxo-1H-1,7-naphthyridine-3-carbonitrile
SMILESCC(F)CCNc1c(C#N)c(=O)[nH]c2cnccc12
InChIInChI=1S/C13H13FN4O/c1-8(14)2-5-17-12-9-3-4-16-7-11(9)18-13(19)10(12)6-15/h3-4,7-8H,2,5H2,1H3,(H2,17,18,19)
InChIKeyNLADIKTVPNLCMD-UHFFFAOYSA-N
XLogP1.95
TPSA81.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.27
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(3-fluorobutylamino)-2-oxo-1H-1,7-naphthyridine-3-carbonitrile?
The IUPAC name of 4-(3-fluorobutylamino)-2-oxo-1H-1,7-naphthyridine-3-carbonitrile (CID 138518512) is 4-(3-fluorobutylamino)-2-oxo-1H-1,7-naphthyridine-3-carbonitrile.
What is the SMILES notation for 4-(3-fluorobutylamino)-2-oxo-1H-1,7-naphthyridine-3-carbonitrile?
The canonical SMILES for 4-(3-fluorobutylamino)-2-oxo-1H-1,7-naphthyridine-3-carbonitrile is CC(F)CCNc1c(C#N)c(=O)[nH]c2cnccc12.
What is the InChIKey of 4-(3-fluorobutylamino)-2-oxo-1H-1,7-naphthyridine-3-carbonitrile?
The InChIKey is NLADIKTVPNLCMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13FN4O/c1-8(14)2-5-17-12-9-3-4-16-7-11(9)18-13(19)10(12)6-15/h3-4,7-8H,2,5H2,1H3,(H2,17,18,19).
What are the key properties of 4-(3-fluorobutylamino)-2-oxo-1H-1,7-naphthyridine-3-carbonitrile?
4-(3-fluorobutylamino)-2-oxo-1H-1,7-naphthyridine-3-carbonitrile has a molecular weight of 260.27 g/mol, XLogP of 1.95, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-fluorobutylamino)-2-oxo-1H-1,7-naphthyridine-3-carbonitrile is sourced from PubChem (CID 138518512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).