N-[(3S,4R)-3-ethoxyoxan-4-yl]-6-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide

C17H21N3O4 — CID 91770364

IUPACN-[(3S,4R)-3-ethoxyoxan-4-yl]-6-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
SMILESCCO[C@@H]1COCC[C@H]1NC(=O)c1cnc2cccc(C)n2c1=O
InChIInChI=1S/C17H21N3O4/c1-3-24-14-10-23-8-7-13(14)19-16(21)12-9-18-15-6-4-5-11(2)20(15)17(12)22/h4-6,9,13-14H,3,7-8,10H2,1-2H3,(H,19,21)/t13-,14-/m1/s1
InChIKeyGTXRFISDKJLRPH-ZIAGYGMSSA-N
MW331.37 g/mol
LogP0.93
Rot. Bonds4

About N-[(3S,4R)-3-ethoxyoxan-4-yl]-6-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide

N-[(3S,4R)-3-ethoxyoxan-4-yl]-6-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide (PubChem CID 91770364) has the molecular formula C17H21N3O4 and a molecular weight of 331.37 g/mol. Its IUPAC name is N-[(3S,4R)-3-ethoxyoxan-4-yl]-6-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-[(3S,4R)-3-ethoxyoxan-4-yl]-6-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
PubChem CID91770364
Molecular FormulaC17H21N3O4
Molecular Weight331.37 g/mol
Exact Mass331.15
IUPAC NameN-[(3S,4R)-3-ethoxyoxan-4-yl]-6-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
SMILESCCO[C@@H]1COCC[C@H]1NC(=O)c1cnc2cccc(C)n2c1=O
InChIInChI=1S/C17H21N3O4/c1-3-24-14-10-23-8-7-13(14)19-16(21)12-9-18-15-6-4-5-11(2)20(15)17(12)22/h4-6,9,13-14H,3,7-8,10H2,1-2H3,(H,19,21)/t13-,14-/m1/s1
InChIKeyGTXRFISDKJLRPH-ZIAGYGMSSA-N
XLogP0.93
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.37
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[(3S,4R)-3-ethoxyoxan-4-yl]-6-methyl-4-oxopyrido[1,2-a]pyrimidine-3-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-[(3S,4R)-3-ethoxyoxan-4-yl]-6-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The IUPAC name of N-[(3S,4R)-3-ethoxyoxan-4-yl]-6-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide (CID 91770364) is N-[(3S,4R)-3-ethoxyoxan-4-yl]-6-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-[(3S,4R)-3-ethoxyoxan-4-yl]-6-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-[(3S,4R)-3-ethoxyoxan-4-yl]-6-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide is CCO[C@@H]1COCC[C@H]1NC(=O)c1cnc2cccc(C)n2c1=O.
What is the InChIKey of N-[(3S,4R)-3-ethoxyoxan-4-yl]-6-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The InChIKey is GTXRFISDKJLRPH-ZIAGYGMSSA-N. The full InChI is InChI=1S/C17H21N3O4/c1-3-24-14-10-23-8-7-13(14)19-16(21)12-9-18-15-6-4-5-11(2)20(15)17(12)22/h4-6,9,13-14H,3,7-8,10H2,1-2H3,(H,19,21)/t13-,14-/m1/s1.
What are the key properties of N-[(3S,4R)-3-ethoxyoxan-4-yl]-6-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
N-[(3S,4R)-3-ethoxyoxan-4-yl]-6-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide has a molecular weight of 331.37 g/mol, XLogP of 0.93, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S,4R)-3-ethoxyoxan-4-yl]-6-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 91770364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).