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

C16H19N3O2 — CID 6950001

IUPACN-(2-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)cyclohexanecarboxamide
SMILESCc1nc2ccccn2c(=O)c1NC(=O)C1CCCCC1
InChIInChI=1S/C16H19N3O2/c1-11-14(18-15(20)12-7-3-2-4-8-12)16(21)19-10-6-5-9-13(19)17-11/h5-6,9-10,12H,2-4,7-8H2,1H3,(H,18,20)
InChIKeyLIYYEPNTMIITOC-UHFFFAOYSA-N
MW285.35 g/mol
LogP2.52
Rot. Bonds2

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

N-(2-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)cyclohexanecarboxamide (PubChem CID 6950001) has the molecular formula C16H19N3O2 and a molecular weight of 285.35 g/mol. Its IUPAC name is N-(2-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)cyclohexanecarboxamide.

Molecular Properties

Compound NameN-(2-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)cyclohexanecarboxamide
PubChem CID6950001
Molecular FormulaC16H19N3O2
Molecular Weight285.35 g/mol
Exact Mass285.15
IUPAC NameN-(2-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)cyclohexanecarboxamide
SMILESCc1nc2ccccn2c(=O)c1NC(=O)C1CCCCC1
InChIInChI=1S/C16H19N3O2/c1-11-14(18-15(20)12-7-3-2-4-8-12)16(21)19-10-6-5-9-13(19)17-11/h5-6,9-10,12H,2-4,7-8H2,1H3,(H,18,20)
InChIKeyLIYYEPNTMIITOC-UHFFFAOYSA-N
XLogP2.52
TPSA63.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)cyclohexanecarboxamide?
The IUPAC name of N-(2-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)cyclohexanecarboxamide (CID 6950001) is N-(2-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)cyclohexanecarboxamide.
What is the SMILES notation for N-(2-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)cyclohexanecarboxamide?
The canonical SMILES for N-(2-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)cyclohexanecarboxamide is Cc1nc2ccccn2c(=O)c1NC(=O)C1CCCCC1.
What is the InChIKey of N-(2-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)cyclohexanecarboxamide?
The InChIKey is LIYYEPNTMIITOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2/c1-11-14(18-15(20)12-7-3-2-4-8-12)16(21)19-10-6-5-9-13(19)17-11/h5-6,9-10,12H,2-4,7-8H2,1H3,(H,18,20).
What are the key properties of N-(2-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)cyclohexanecarboxamide?
N-(2-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)cyclohexanecarboxamide has a molecular weight of 285.35 g/mol, XLogP of 2.52, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)cyclohexanecarboxamide is sourced from PubChem (CID 6950001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).