[4-(5-cyano-3-phenyl-1,6-naphthyridin-2-yl)phenyl]methyl carbamate

C23H16N4O2 — CID 68751779

IUPAC[4-(5-cyano-3-phenyl-1,6-naphthyridin-2-yl)phenyl]methyl carbamate
SMILESN#Cc1nccc2nc(-c3ccc(COC(N)=O)cc3)c(-c3ccccc3)cc12
InChIInChI=1S/C23H16N4O2/c24-13-21-19-12-18(16-4-2-1-3-5-16)22(27-20(19)10-11-26-21)17-8-6-15(7-9-17)14-29-23(25)28/h1-12H,14H2,(H2,25,28)
InChIKeyXIJHDRNVLOWLDJ-UHFFFAOYSA-N
MW380.41 g/mol
LogP4.43
Rot. Bonds4

About [4-(5-cyano-3-phenyl-1,6-naphthyridin-2-yl)phenyl]methyl carbamate

[4-(5-cyano-3-phenyl-1,6-naphthyridin-2-yl)phenyl]methyl carbamate (PubChem CID 68751779) has the molecular formula C23H16N4O2 and a molecular weight of 380.41 g/mol. Its IUPAC name is [4-(5-cyano-3-phenyl-1,6-naphthyridin-2-yl)phenyl]methyl carbamate.

Molecular Properties

Compound Name[4-(5-cyano-3-phenyl-1,6-naphthyridin-2-yl)phenyl]methyl carbamate
PubChem CID68751779
Molecular FormulaC23H16N4O2
Molecular Weight380.41 g/mol
Exact Mass380.13
IUPAC Name[4-(5-cyano-3-phenyl-1,6-naphthyridin-2-yl)phenyl]methyl carbamate
SMILESN#Cc1nccc2nc(-c3ccc(COC(N)=O)cc3)c(-c3ccccc3)cc12
InChIInChI=1S/C23H16N4O2/c24-13-21-19-12-18(16-4-2-1-3-5-16)22(27-20(19)10-11-26-21)17-8-6-15(7-9-17)14-29-23(25)28/h1-12H,14H2,(H2,25,28)
InChIKeyXIJHDRNVLOWLDJ-UHFFFAOYSA-N
XLogP4.43
TPSA101.89 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.41
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [4-(5-cyano-3-phenyl-1,6-naphthyridin-2-yl)phenyl]methyl carbamate?
The IUPAC name of [4-(5-cyano-3-phenyl-1,6-naphthyridin-2-yl)phenyl]methyl carbamate (CID 68751779) is [4-(5-cyano-3-phenyl-1,6-naphthyridin-2-yl)phenyl]methyl carbamate.
What is the SMILES notation for [4-(5-cyano-3-phenyl-1,6-naphthyridin-2-yl)phenyl]methyl carbamate?
The canonical SMILES for [4-(5-cyano-3-phenyl-1,6-naphthyridin-2-yl)phenyl]methyl carbamate is N#Cc1nccc2nc(-c3ccc(COC(N)=O)cc3)c(-c3ccccc3)cc12.
What is the InChIKey of [4-(5-cyano-3-phenyl-1,6-naphthyridin-2-yl)phenyl]methyl carbamate?
The InChIKey is XIJHDRNVLOWLDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16N4O2/c24-13-21-19-12-18(16-4-2-1-3-5-16)22(27-20(19)10-11-26-21)17-8-6-15(7-9-17)14-29-23(25)28/h1-12H,14H2,(H2,25,28).
What are the key properties of [4-(5-cyano-3-phenyl-1,6-naphthyridin-2-yl)phenyl]methyl carbamate?
[4-(5-cyano-3-phenyl-1,6-naphthyridin-2-yl)phenyl]methyl carbamate has a molecular weight of 380.41 g/mol, XLogP of 4.43, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(5-cyano-3-phenyl-1,6-naphthyridin-2-yl)phenyl]methyl carbamate is sourced from PubChem (CID 68751779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).