2-[5-cyano-4-(oxolan-3-yloxy)pyrimidin-2-yl]-7-(dimethoxymethyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide

C21H24N6O5 — CID 142796637

IUPAC2-[5-cyano-4-(oxolan-3-yloxy)pyrimidin-2-yl]-7-(dimethoxymethyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
SMILESCOC(OC)c1ccc2c(n1)N(C(N)=O)C(c1ncc(C#N)c(OC3CCOC3)n1)CC2
InChIInChI=1S/C21H24N6O5/c1-29-20(30-2)15-5-3-12-4-6-16(27(21(23)28)18(12)25-15)17-24-10-13(9-22)19(26-17)32-14-7-8-31-11-14/h3,5,10,14,16,20H,4,6-8,11H2,1-2H3,(H2,23,28)
InChIKeyHPNWAWLVQRESFU-UHFFFAOYSA-N
MW440.46 g/mol
LogP1.77
Rot. Bonds6

About 2-[5-cyano-4-(oxolan-3-yloxy)pyrimidin-2-yl]-7-(dimethoxymethyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide

2-[5-cyano-4-(oxolan-3-yloxy)pyrimidin-2-yl]-7-(dimethoxymethyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide (PubChem CID 142796637) has the molecular formula C21H24N6O5 and a molecular weight of 440.46 g/mol. Its IUPAC name is 2-[5-cyano-4-(oxolan-3-yloxy)pyrimidin-2-yl]-7-(dimethoxymethyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide.

Molecular Properties

Compound Name2-[5-cyano-4-(oxolan-3-yloxy)pyrimidin-2-yl]-7-(dimethoxymethyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
PubChem CID142796637
Molecular FormulaC21H24N6O5
Molecular Weight440.46 g/mol
Exact Mass440.18
IUPAC Name2-[5-cyano-4-(oxolan-3-yloxy)pyrimidin-2-yl]-7-(dimethoxymethyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
SMILESCOC(OC)c1ccc2c(n1)N(C(N)=O)C(c1ncc(C#N)c(OC3CCOC3)n1)CC2
InChIInChI=1S/C21H24N6O5/c1-29-20(30-2)15-5-3-12-4-6-16(27(21(23)28)18(12)25-15)17-24-10-13(9-22)19(26-17)32-14-7-8-31-11-14/h3,5,10,14,16,20H,4,6-8,11H2,1-2H3,(H2,23,28)
InChIKeyHPNWAWLVQRESFU-UHFFFAOYSA-N
XLogP1.77
TPSA145.71 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.46
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

Analyze 2-[5-cyano-4-(oxolan-3-yloxy)pyrimidin-2-yl]-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 2-[5-cyano-4-(oxolan-3-yloxy)pyrimidin-2-yl]-7-(dimethoxymethyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide?
The IUPAC name of 2-[5-cyano-4-(oxolan-3-yloxy)pyrimidin-2-yl]-7-(dimethoxymethyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide (CID 142796637) is 2-[5-cyano-4-(oxolan-3-yloxy)pyrimidin-2-yl]-7-(dimethoxymethyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide.
What is the SMILES notation for 2-[5-cyano-4-(oxolan-3-yloxy)pyrimidin-2-yl]-7-(dimethoxymethyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide?
The canonical SMILES for 2-[5-cyano-4-(oxolan-3-yloxy)pyrimidin-2-yl]-7-(dimethoxymethyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide is COC(OC)c1ccc2c(n1)N(C(N)=O)C(c1ncc(C#N)c(OC3CCOC3)n1)CC2.
What is the InChIKey of 2-[5-cyano-4-(oxolan-3-yloxy)pyrimidin-2-yl]-7-(dimethoxymethyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide?
The InChIKey is HPNWAWLVQRESFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N6O5/c1-29-20(30-2)15-5-3-12-4-6-16(27(21(23)28)18(12)25-15)17-24-10-13(9-22)19(26-17)32-14-7-8-31-11-14/h3,5,10,14,16,20H,4,6-8,11H2,1-2H3,(H2,23,28).
What are the key properties of 2-[5-cyano-4-(oxolan-3-yloxy)pyrimidin-2-yl]-7-(dimethoxymethyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide?
2-[5-cyano-4-(oxolan-3-yloxy)pyrimidin-2-yl]-7-(dimethoxymethyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide has a molecular weight of 440.46 g/mol, XLogP of 1.77, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-cyano-4-(oxolan-3-yloxy)pyrimidin-2-yl]-7-(dimethoxymethyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide is sourced from PubChem (CID 142796637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).