N-(2-methylpropyl)-2-pyridin-3-ylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-1'-carboxamide

C20H25N5O2 — CID 131659322

IUPACN-(2-methylpropyl)-2-pyridin-3-ylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-1'-carboxamide
SMILESCC(C)CNC(=O)N1CCC2(COCc3cnc(-c4cccnc4)nc32)C1
InChIInChI=1S/C20H25N5O2/c1-14(2)8-23-19(26)25-7-5-20(12-25)13-27-11-16-10-22-18(24-17(16)20)15-4-3-6-21-9-15/h3-4,6,9-10,14H,5,7-8,11-13H2,1-2H3,(H,23,26)
InChIKeyNBOXDXAPDXULOA-UHFFFAOYSA-N
MW367.45 g/mol
LogP2.38
Rot. Bonds3

About N-(2-methylpropyl)-2-pyridin-3-ylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-1'-carboxamide

N-(2-methylpropyl)-2-pyridin-3-ylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-1'-carboxamide (PubChem CID 131659322) has the molecular formula C20H25N5O2 and a molecular weight of 367.45 g/mol. Its IUPAC name is N-(2-methylpropyl)-2-pyridin-3-ylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-1'-carboxamide.

Molecular Properties

Compound NameN-(2-methylpropyl)-2-pyridin-3-ylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-1'-carboxamide
PubChem CID131659322
Molecular FormulaC20H25N5O2
Molecular Weight367.45 g/mol
Exact Mass367.20
IUPAC NameN-(2-methylpropyl)-2-pyridin-3-ylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-1'-carboxamide
SMILESCC(C)CNC(=O)N1CCC2(COCc3cnc(-c4cccnc4)nc32)C1
InChIInChI=1S/C20H25N5O2/c1-14(2)8-23-19(26)25-7-5-20(12-25)13-27-11-16-10-22-18(24-17(16)20)15-4-3-6-21-9-15/h3-4,6,9-10,14H,5,7-8,11-13H2,1-2H3,(H,23,26)
InChIKeyNBOXDXAPDXULOA-UHFFFAOYSA-N
XLogP2.38
TPSA80.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(2-methylpropyl)-2-pyridin-3-ylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-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-(2-methylpropyl)-2-pyridin-3-ylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-1'-carboxamide?
The IUPAC name of N-(2-methylpropyl)-2-pyridin-3-ylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-1'-carboxamide (CID 131659322) is N-(2-methylpropyl)-2-pyridin-3-ylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-1'-carboxamide.
What is the SMILES notation for N-(2-methylpropyl)-2-pyridin-3-ylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-1'-carboxamide?
The canonical SMILES for N-(2-methylpropyl)-2-pyridin-3-ylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-1'-carboxamide is CC(C)CNC(=O)N1CCC2(COCc3cnc(-c4cccnc4)nc32)C1.
What is the InChIKey of N-(2-methylpropyl)-2-pyridin-3-ylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-1'-carboxamide?
The InChIKey is NBOXDXAPDXULOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N5O2/c1-14(2)8-23-19(26)25-7-5-20(12-25)13-27-11-16-10-22-18(24-17(16)20)15-4-3-6-21-9-15/h3-4,6,9-10,14H,5,7-8,11-13H2,1-2H3,(H,23,26).
What are the key properties of N-(2-methylpropyl)-2-pyridin-3-ylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-1'-carboxamide?
N-(2-methylpropyl)-2-pyridin-3-ylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-1'-carboxamide has a molecular weight of 367.45 g/mol, XLogP of 2.38, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpropyl)-2-pyridin-3-ylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-1'-carboxamide is sourced from PubChem (CID 131659322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).