(3S)-1-[(6-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]piperidine-3-carboxamide

C16H20N4O2 — CID 8709716

IUPAC(3S)-1-[(6-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]piperidine-3-carboxamide
SMILESCc1cccc2nc(CN3CCC[C@H](C(N)=O)C3)cc(=O)n12
InChIInChI=1S/C16H20N4O2/c1-11-4-2-6-14-18-13(8-15(21)20(11)14)10-19-7-3-5-12(9-19)16(17)22/h2,4,6,8,12H,3,5,7,9-10H2,1H3,(H2,17,22)/t12-/m0/s1
InChIKeyHZECTWCPODBHTD-LBPRGKRZSA-N
MW300.36 g/mol
LogP0.70
Rot. Bonds3

About (3S)-1-[(6-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]piperidine-3-carboxamide

(3S)-1-[(6-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]piperidine-3-carboxamide (PubChem CID 8709716) has the molecular formula C16H20N4O2 and a molecular weight of 300.36 g/mol. Its IUPAC name is (3S)-1-[(6-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-1-[(6-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]piperidine-3-carboxamide
PubChem CID8709716
Molecular FormulaC16H20N4O2
Molecular Weight300.36 g/mol
Exact Mass300.16
IUPAC Name(3S)-1-[(6-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]piperidine-3-carboxamide
SMILESCc1cccc2nc(CN3CCC[C@H](C(N)=O)C3)cc(=O)n12
InChIInChI=1S/C16H20N4O2/c1-11-4-2-6-14-18-13(8-15(21)20(11)14)10-19-7-3-5-12(9-19)16(17)22/h2,4,6,8,12H,3,5,7,9-10H2,1H3,(H2,17,22)/t12-/m0/s1
InChIKeyHZECTWCPODBHTD-LBPRGKRZSA-N
XLogP0.70
TPSA80.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 50.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (3S)-1-[(6-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]piperidine-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 (3S)-1-[(6-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]piperidine-3-carboxamide?
The IUPAC name of (3S)-1-[(6-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]piperidine-3-carboxamide (CID 8709716) is (3S)-1-[(6-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]piperidine-3-carboxamide.
What is the SMILES notation for (3S)-1-[(6-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]piperidine-3-carboxamide?
The canonical SMILES for (3S)-1-[(6-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]piperidine-3-carboxamide is Cc1cccc2nc(CN3CCC[C@H](C(N)=O)C3)cc(=O)n12.
What is the InChIKey of (3S)-1-[(6-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]piperidine-3-carboxamide?
The InChIKey is HZECTWCPODBHTD-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H20N4O2/c1-11-4-2-6-14-18-13(8-15(21)20(11)14)10-19-7-3-5-12(9-19)16(17)22/h2,4,6,8,12H,3,5,7,9-10H2,1H3,(H2,17,22)/t12-/m0/s1.
What are the key properties of (3S)-1-[(6-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]piperidine-3-carboxamide?
(3S)-1-[(6-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]piperidine-3-carboxamide has a molecular weight of 300.36 g/mol, XLogP of 0.70, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-[(6-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]piperidine-3-carboxamide is sourced from PubChem (CID 8709716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).