N-(6-chloro-1,8-naphthyridin-2-yl)-3,3-difluorocyclobutane-1-carboxamide

C13H10ClF2N3O — CID 167816475

IUPACN-(6-chloro-1,8-naphthyridin-2-yl)-3,3-difluorocyclobutane-1-carboxamide
SMILESO=C(Nc1ccc2cc(Cl)cnc2n1)C1CC(F)(F)C1
InChIInChI=1S/C13H10ClF2N3O/c14-9-3-7-1-2-10(18-11(7)17-6-9)19-12(20)8-4-13(15,16)5-8/h1-3,6,8H,4-5H2,(H,17,18,19,20)
InChIKeyQYTSYBIAFJAIDK-UHFFFAOYSA-N
MW297.69 g/mol
LogP3.27
Rot. Bonds2

About N-(6-chloro-1,8-naphthyridin-2-yl)-3,3-difluorocyclobutane-1-carboxamide

N-(6-chloro-1,8-naphthyridin-2-yl)-3,3-difluorocyclobutane-1-carboxamide (PubChem CID 167816475) has the molecular formula C13H10ClF2N3O and a molecular weight of 297.69 g/mol. Its IUPAC name is N-(6-chloro-1,8-naphthyridin-2-yl)-3,3-difluorocyclobutane-1-carboxamide.

Molecular Properties

Compound NameN-(6-chloro-1,8-naphthyridin-2-yl)-3,3-difluorocyclobutane-1-carboxamide
PubChem CID167816475
Molecular FormulaC13H10ClF2N3O
Molecular Weight297.69 g/mol
Exact Mass297.05
IUPAC NameN-(6-chloro-1,8-naphthyridin-2-yl)-3,3-difluorocyclobutane-1-carboxamide
SMILESO=C(Nc1ccc2cc(Cl)cnc2n1)C1CC(F)(F)C1
InChIInChI=1S/C13H10ClF2N3O/c14-9-3-7-1-2-10(18-11(7)17-6-9)19-12(20)8-4-13(15,16)5-8/h1-3,6,8H,4-5H2,(H,17,18,19,20)
InChIKeyQYTSYBIAFJAIDK-UHFFFAOYSA-N
XLogP3.27
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.69
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(6-chloro-1,8-naphthyridin-2-yl)-3,3-difluorocyclobutane-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(6-chloro-1,8-naphthyridin-2-yl)-3,3-difluorocyclobutane-1-carboxamide?
The IUPAC name of N-(6-chloro-1,8-naphthyridin-2-yl)-3,3-difluorocyclobutane-1-carboxamide (CID 167816475) is N-(6-chloro-1,8-naphthyridin-2-yl)-3,3-difluorocyclobutane-1-carboxamide.
What is the SMILES notation for N-(6-chloro-1,8-naphthyridin-2-yl)-3,3-difluorocyclobutane-1-carboxamide?
The canonical SMILES for N-(6-chloro-1,8-naphthyridin-2-yl)-3,3-difluorocyclobutane-1-carboxamide is O=C(Nc1ccc2cc(Cl)cnc2n1)C1CC(F)(F)C1.
What is the InChIKey of N-(6-chloro-1,8-naphthyridin-2-yl)-3,3-difluorocyclobutane-1-carboxamide?
The InChIKey is QYTSYBIAFJAIDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClF2N3O/c14-9-3-7-1-2-10(18-11(7)17-6-9)19-12(20)8-4-13(15,16)5-8/h1-3,6,8H,4-5H2,(H,17,18,19,20).
What are the key properties of N-(6-chloro-1,8-naphthyridin-2-yl)-3,3-difluorocyclobutane-1-carboxamide?
N-(6-chloro-1,8-naphthyridin-2-yl)-3,3-difluorocyclobutane-1-carboxamide has a molecular weight of 297.69 g/mol, XLogP of 3.27, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-chloro-1,8-naphthyridin-2-yl)-3,3-difluorocyclobutane-1-carboxamide is sourced from PubChem (CID 167816475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).