N-(5-cyano-4-fluoro-2-pyridinyl)-7-(dimethoxymethyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide

C18H18FN5O3 — CID 118036851

IUPACN-(5-cyano-4-fluoro-2-pyridinyl)-7-(dimethoxymethyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
SMILESCOC(OC)c1ccc2c(n1)N(C(=O)Nc1cc(F)c(C#N)cn1)CCC2
InChIInChI=1S/C18H18FN5O3/c1-26-17(27-2)14-6-5-11-4-3-7-24(16(11)22-14)18(25)23-15-8-13(19)12(9-20)10-21-15/h5-6,8,10,17H,3-4,7H2,1-2H3,(H,21,23,25)
InChIKeyKJVFDOBUQJTOLT-UHFFFAOYSA-N
MW371.37 g/mol
LogP2.76
Rot. Bonds4

About N-(5-cyano-4-fluoro-2-pyridinyl)-7-(dimethoxymethyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide

N-(5-cyano-4-fluoro-2-pyridinyl)-7-(dimethoxymethyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide (PubChem CID 118036851) has the molecular formula C18H18FN5O3 and a molecular weight of 371.37 g/mol. Its IUPAC name is N-(5-cyano-4-fluoro-2-pyridinyl)-7-(dimethoxymethyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide.

Molecular Properties

Compound NameN-(5-cyano-4-fluoro-2-pyridinyl)-7-(dimethoxymethyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
PubChem CID118036851
Molecular FormulaC18H18FN5O3
Molecular Weight371.37 g/mol
Exact Mass371.14
IUPAC NameN-(5-cyano-4-fluoro-2-pyridinyl)-7-(dimethoxymethyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
SMILESCOC(OC)c1ccc2c(n1)N(C(=O)Nc1cc(F)c(C#N)cn1)CCC2
InChIInChI=1S/C18H18FN5O3/c1-26-17(27-2)14-6-5-11-4-3-7-24(16(11)22-14)18(25)23-15-8-13(19)12(9-20)10-21-15/h5-6,8,10,17H,3-4,7H2,1-2H3,(H,21,23,25)
InChIKeyKJVFDOBUQJTOLT-UHFFFAOYSA-N
XLogP2.76
TPSA100.37 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.37
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze N-(5-cyano-4-fluoro-2-pyridinyl)-7-(dimethoxymethyl)-3,4-dihydro-2H-1,8-naphthyridine-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-(5-cyano-4-fluoro-2-pyridinyl)-7-(dimethoxymethyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide?
The IUPAC name of N-(5-cyano-4-fluoro-2-pyridinyl)-7-(dimethoxymethyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide (CID 118036851) is N-(5-cyano-4-fluoro-2-pyridinyl)-7-(dimethoxymethyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide.
What is the SMILES notation for N-(5-cyano-4-fluoro-2-pyridinyl)-7-(dimethoxymethyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide?
The canonical SMILES for N-(5-cyano-4-fluoro-2-pyridinyl)-7-(dimethoxymethyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide is COC(OC)c1ccc2c(n1)N(C(=O)Nc1cc(F)c(C#N)cn1)CCC2.
What is the InChIKey of N-(5-cyano-4-fluoro-2-pyridinyl)-7-(dimethoxymethyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide?
The InChIKey is KJVFDOBUQJTOLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FN5O3/c1-26-17(27-2)14-6-5-11-4-3-7-24(16(11)22-14)18(25)23-15-8-13(19)12(9-20)10-21-15/h5-6,8,10,17H,3-4,7H2,1-2H3,(H,21,23,25).
What are the key properties of N-(5-cyano-4-fluoro-2-pyridinyl)-7-(dimethoxymethyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide?
N-(5-cyano-4-fluoro-2-pyridinyl)-7-(dimethoxymethyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide has a molecular weight of 371.37 g/mol, XLogP of 2.76, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-cyano-4-fluoro-2-pyridinyl)-7-(dimethoxymethyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide is sourced from PubChem (CID 118036851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).