N-(2,9-dimethyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)cyclohexanecarboxamide

C17H21N3O2 — CID 18566195

IUPACN-(2,9-dimethyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)cyclohexanecarboxamide
SMILESCc1nc2c(C)cccn2c(=O)c1NC(=O)C1CCCCC1
InChIInChI=1S/C17H21N3O2/c1-11-7-6-10-20-15(11)18-12(2)14(17(20)22)19-16(21)13-8-4-3-5-9-13/h6-7,10,13H,3-5,8-9H2,1-2H3,(H,19,21)
InChIKeyUHAYIBPIIKVRQG-UHFFFAOYSA-N
MW299.37 g/mol
LogP2.83
Rot. Bonds2

About N-(2,9-dimethyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)cyclohexanecarboxamide

N-(2,9-dimethyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)cyclohexanecarboxamide (PubChem CID 18566195) has the molecular formula C17H21N3O2 and a molecular weight of 299.37 g/mol. Its IUPAC name is N-(2,9-dimethyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)cyclohexanecarboxamide.

Molecular Properties

Compound NameN-(2,9-dimethyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)cyclohexanecarboxamide
PubChem CID18566195
Molecular FormulaC17H21N3O2
Molecular Weight299.37 g/mol
Exact Mass299.16
IUPAC NameN-(2,9-dimethyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)cyclohexanecarboxamide
SMILESCc1nc2c(C)cccn2c(=O)c1NC(=O)C1CCCCC1
InChIInChI=1S/C17H21N3O2/c1-11-7-6-10-20-15(11)18-12(2)14(17(20)22)19-16(21)13-8-4-3-5-9-13/h6-7,10,13H,3-5,8-9H2,1-2H3,(H,19,21)
InChIKeyUHAYIBPIIKVRQG-UHFFFAOYSA-N
XLogP2.83
TPSA63.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2,9-dimethyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)cyclohexanecarboxamide?
The IUPAC name of N-(2,9-dimethyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)cyclohexanecarboxamide (CID 18566195) is N-(2,9-dimethyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)cyclohexanecarboxamide.
What is the SMILES notation for N-(2,9-dimethyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)cyclohexanecarboxamide?
The canonical SMILES for N-(2,9-dimethyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)cyclohexanecarboxamide is Cc1nc2c(C)cccn2c(=O)c1NC(=O)C1CCCCC1.
What is the InChIKey of N-(2,9-dimethyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)cyclohexanecarboxamide?
The InChIKey is UHAYIBPIIKVRQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O2/c1-11-7-6-10-20-15(11)18-12(2)14(17(20)22)19-16(21)13-8-4-3-5-9-13/h6-7,10,13H,3-5,8-9H2,1-2H3,(H,19,21).
What are the key properties of N-(2,9-dimethyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)cyclohexanecarboxamide?
N-(2,9-dimethyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)cyclohexanecarboxamide has a molecular weight of 299.37 g/mol, XLogP of 2.83, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,9-dimethyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)cyclohexanecarboxamide is sourced from PubChem (CID 18566195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).