2,9-dimethyl-N-[3-(2-methylpiperidin-1-yl)propyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide

C20H28N4O2 — CID 118966986

IUPAC2,9-dimethyl-N-[3-(2-methylpiperidin-1-yl)propyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
SMILESCc1nc2c(C)cccn2c(=O)c1C(=O)NCCCN1CCCCC1C
InChIInChI=1S/C20H28N4O2/c1-14-8-6-13-24-18(14)22-16(3)17(20(24)26)19(25)21-10-7-12-23-11-5-4-9-15(23)2/h6,8,13,15H,4-5,7,9-12H2,1-3H3,(H,21,25)
InChIKeyGHVNIAQDARPJHA-UHFFFAOYSA-N
MW356.47 g/mol
LogP2.31
Rot. Bonds5

About 2,9-dimethyl-N-[3-(2-methylpiperidin-1-yl)propyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide

2,9-dimethyl-N-[3-(2-methylpiperidin-1-yl)propyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide (PubChem CID 118966986) has the molecular formula C20H28N4O2 and a molecular weight of 356.47 g/mol. Its IUPAC name is 2,9-dimethyl-N-[3-(2-methylpiperidin-1-yl)propyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name2,9-dimethyl-N-[3-(2-methylpiperidin-1-yl)propyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
PubChem CID118966986
Molecular FormulaC20H28N4O2
Molecular Weight356.47 g/mol
Exact Mass356.22
IUPAC Name2,9-dimethyl-N-[3-(2-methylpiperidin-1-yl)propyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
SMILESCc1nc2c(C)cccn2c(=O)c1C(=O)NCCCN1CCCCC1C
InChIInChI=1S/C20H28N4O2/c1-14-8-6-13-24-18(14)22-16(3)17(20(24)26)19(25)21-10-7-12-23-11-5-4-9-15(23)2/h6,8,13,15H,4-5,7,9-12H2,1-3H3,(H,21,25)
InChIKeyGHVNIAQDARPJHA-UHFFFAOYSA-N
XLogP2.31
TPSA66.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.47
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,9-dimethyl-N-[3-(2-methylpiperidin-1-yl)propyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The IUPAC name of 2,9-dimethyl-N-[3-(2-methylpiperidin-1-yl)propyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide (CID 118966986) is 2,9-dimethyl-N-[3-(2-methylpiperidin-1-yl)propyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 2,9-dimethyl-N-[3-(2-methylpiperidin-1-yl)propyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The canonical SMILES for 2,9-dimethyl-N-[3-(2-methylpiperidin-1-yl)propyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide is Cc1nc2c(C)cccn2c(=O)c1C(=O)NCCCN1CCCCC1C.
What is the InChIKey of 2,9-dimethyl-N-[3-(2-methylpiperidin-1-yl)propyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The InChIKey is GHVNIAQDARPJHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4O2/c1-14-8-6-13-24-18(14)22-16(3)17(20(24)26)19(25)21-10-7-12-23-11-5-4-9-15(23)2/h6,8,13,15H,4-5,7,9-12H2,1-3H3,(H,21,25).
What are the key properties of 2,9-dimethyl-N-[3-(2-methylpiperidin-1-yl)propyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
2,9-dimethyl-N-[3-(2-methylpiperidin-1-yl)propyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide has a molecular weight of 356.47 g/mol, XLogP of 2.31, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,9-dimethyl-N-[3-(2-methylpiperidin-1-yl)propyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 118966986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).