1-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]-N-pentylpiperidine-4-carboxamide

C20H28N4O2 — CID 55852791

IUPAC1-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]-N-pentylpiperidine-4-carboxamide
SMILESCCCCCNC(=O)C1CCN(Cc2cc(=O)n3ccccc3n2)CC1
InChIInChI=1S/C20H28N4O2/c1-2-3-5-10-21-20(26)16-8-12-23(13-9-16)15-17-14-19(25)24-11-6-4-7-18(24)22-17/h4,6-7,11,14,16H,2-3,5,8-10,12-13,15H2,1H3,(H,21,26)
InChIKeyFQQZJDXUPWMKDQ-UHFFFAOYSA-N
MW356.47 g/mol
LogP2.21
Rot. Bonds7

About 1-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]-N-pentylpiperidine-4-carboxamide

1-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]-N-pentylpiperidine-4-carboxamide (PubChem CID 55852791) has the molecular formula C20H28N4O2 and a molecular weight of 356.47 g/mol. Its IUPAC name is 1-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]-N-pentylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]-N-pentylpiperidine-4-carboxamide
PubChem CID55852791
Molecular FormulaC20H28N4O2
Molecular Weight356.47 g/mol
Exact Mass356.22
IUPAC Name1-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]-N-pentylpiperidine-4-carboxamide
SMILESCCCCCNC(=O)C1CCN(Cc2cc(=O)n3ccccc3n2)CC1
InChIInChI=1S/C20H28N4O2/c1-2-3-5-10-21-20(26)16-8-12-23(13-9-16)15-17-14-19(25)24-11-6-4-7-18(24)22-17/h4,6-7,11,14,16H,2-3,5,8-10,12-13,15H2,1H3,(H,21,26)
InChIKeyFQQZJDXUPWMKDQ-UHFFFAOYSA-N
XLogP2.21
TPSA66.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.47
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 1-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]-N-pentylpiperidine-4-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 1-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]-N-pentylpiperidine-4-carboxamide?
The IUPAC name of 1-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]-N-pentylpiperidine-4-carboxamide (CID 55852791) is 1-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]-N-pentylpiperidine-4-carboxamide.
What is the SMILES notation for 1-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]-N-pentylpiperidine-4-carboxamide?
The canonical SMILES for 1-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]-N-pentylpiperidine-4-carboxamide is CCCCCNC(=O)C1CCN(Cc2cc(=O)n3ccccc3n2)CC1.
What is the InChIKey of 1-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]-N-pentylpiperidine-4-carboxamide?
The InChIKey is FQQZJDXUPWMKDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4O2/c1-2-3-5-10-21-20(26)16-8-12-23(13-9-16)15-17-14-19(25)24-11-6-4-7-18(24)22-17/h4,6-7,11,14,16H,2-3,5,8-10,12-13,15H2,1H3,(H,21,26).
What are the key properties of 1-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]-N-pentylpiperidine-4-carboxamide?
1-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]-N-pentylpiperidine-4-carboxamide has a molecular weight of 356.47 g/mol, XLogP of 2.21, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]-N-pentylpiperidine-4-carboxamide is sourced from PubChem (CID 55852791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).