2-oxo-1-(pyridin-3-ylmethyl)-5,6,7,8-tetrahydro-1,6-naphthyridine-3-carbonitrile

C15H14N4O — CID 82043903

IUPAC2-oxo-1-(pyridin-3-ylmethyl)-5,6,7,8-tetrahydro-1,6-naphthyridine-3-carbonitrile
SMILESN#Cc1cc2c(n(Cc3cccnc3)c1=O)CCNC2
InChIInChI=1S/C15H14N4O/c16-7-12-6-13-9-18-5-3-14(13)19(15(12)20)10-11-2-1-4-17-8-11/h1-2,4,6,8,18H,3,5,9-10H2
InChIKeyFRCJQBYSOBGWAS-UHFFFAOYSA-N
MW266.30 g/mol
LogP0.81
Rot. Bonds2

About 2-oxo-1-(pyridin-3-ylmethyl)-5,6,7,8-tetrahydro-1,6-naphthyridine-3-carbonitrile

2-oxo-1-(pyridin-3-ylmethyl)-5,6,7,8-tetrahydro-1,6-naphthyridine-3-carbonitrile (PubChem CID 82043903) has the molecular formula C15H14N4O and a molecular weight of 266.30 g/mol. Its IUPAC name is 2-oxo-1-(pyridin-3-ylmethyl)-5,6,7,8-tetrahydro-1,6-naphthyridine-3-carbonitrile.

Molecular Properties

Compound Name2-oxo-1-(pyridin-3-ylmethyl)-5,6,7,8-tetrahydro-1,6-naphthyridine-3-carbonitrile
PubChem CID82043903
Molecular FormulaC15H14N4O
Molecular Weight266.30 g/mol
Exact Mass266.12
IUPAC Name2-oxo-1-(pyridin-3-ylmethyl)-5,6,7,8-tetrahydro-1,6-naphthyridine-3-carbonitrile
SMILESN#Cc1cc2c(n(Cc3cccnc3)c1=O)CCNC2
InChIInChI=1S/C15H14N4O/c16-7-12-6-13-9-18-5-3-14(13)19(15(12)20)10-11-2-1-4-17-8-11/h1-2,4,6,8,18H,3,5,9-10H2
InChIKeyFRCJQBYSOBGWAS-UHFFFAOYSA-N
XLogP0.81
TPSA70.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-oxo-1-(pyridin-3-ylmethyl)-5,6,7,8-tetrahydro-1,6-naphthyridine-3-carbonitrile?
The IUPAC name of 2-oxo-1-(pyridin-3-ylmethyl)-5,6,7,8-tetrahydro-1,6-naphthyridine-3-carbonitrile (CID 82043903) is 2-oxo-1-(pyridin-3-ylmethyl)-5,6,7,8-tetrahydro-1,6-naphthyridine-3-carbonitrile.
What is the SMILES notation for 2-oxo-1-(pyridin-3-ylmethyl)-5,6,7,8-tetrahydro-1,6-naphthyridine-3-carbonitrile?
The canonical SMILES for 2-oxo-1-(pyridin-3-ylmethyl)-5,6,7,8-tetrahydro-1,6-naphthyridine-3-carbonitrile is N#Cc1cc2c(n(Cc3cccnc3)c1=O)CCNC2.
What is the InChIKey of 2-oxo-1-(pyridin-3-ylmethyl)-5,6,7,8-tetrahydro-1,6-naphthyridine-3-carbonitrile?
The InChIKey is FRCJQBYSOBGWAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4O/c16-7-12-6-13-9-18-5-3-14(13)19(15(12)20)10-11-2-1-4-17-8-11/h1-2,4,6,8,18H,3,5,9-10H2.
What are the key properties of 2-oxo-1-(pyridin-3-ylmethyl)-5,6,7,8-tetrahydro-1,6-naphthyridine-3-carbonitrile?
2-oxo-1-(pyridin-3-ylmethyl)-5,6,7,8-tetrahydro-1,6-naphthyridine-3-carbonitrile has a molecular weight of 266.30 g/mol, XLogP of 0.81, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-1-(pyridin-3-ylmethyl)-5,6,7,8-tetrahydro-1,6-naphthyridine-3-carbonitrile is sourced from PubChem (CID 82043903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).