N-(2,2-dimethylcyclohexyl)-9-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide

C18H23N3O2 — CID 136520292

IUPACN-(2,2-dimethylcyclohexyl)-9-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
SMILESCc1cccn2c(=O)c(C(=O)NC3CCCCC3(C)C)cnc12
InChIInChI=1S/C18H23N3O2/c1-12-7-6-10-21-15(12)19-11-13(17(21)23)16(22)20-14-8-4-5-9-18(14,2)3/h6-7,10-11,14H,4-5,8-9H2,1-3H3,(H,20,22)
InChIKeyLNGKPMXSPSMTMX-UHFFFAOYSA-N
MW313.40 g/mol
LogP2.70
Rot. Bonds2

About N-(2,2-dimethylcyclohexyl)-9-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide

N-(2,2-dimethylcyclohexyl)-9-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide (PubChem CID 136520292) has the molecular formula C18H23N3O2 and a molecular weight of 313.40 g/mol. Its IUPAC name is N-(2,2-dimethylcyclohexyl)-9-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-(2,2-dimethylcyclohexyl)-9-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
PubChem CID136520292
Molecular FormulaC18H23N3O2
Molecular Weight313.40 g/mol
Exact Mass313.18
IUPAC NameN-(2,2-dimethylcyclohexyl)-9-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
SMILESCc1cccn2c(=O)c(C(=O)NC3CCCCC3(C)C)cnc12
InChIInChI=1S/C18H23N3O2/c1-12-7-6-10-21-15(12)19-11-13(17(21)23)16(22)20-14-8-4-5-9-18(14,2)3/h6-7,10-11,14H,4-5,8-9H2,1-3H3,(H,20,22)
InChIKeyLNGKPMXSPSMTMX-UHFFFAOYSA-N
XLogP2.70
TPSA63.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethylcyclohexyl)-9-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The IUPAC name of N-(2,2-dimethylcyclohexyl)-9-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide (CID 136520292) is N-(2,2-dimethylcyclohexyl)-9-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-(2,2-dimethylcyclohexyl)-9-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-(2,2-dimethylcyclohexyl)-9-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide is Cc1cccn2c(=O)c(C(=O)NC3CCCCC3(C)C)cnc12.
What is the InChIKey of N-(2,2-dimethylcyclohexyl)-9-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The InChIKey is LNGKPMXSPSMTMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O2/c1-12-7-6-10-21-15(12)19-11-13(17(21)23)16(22)20-14-8-4-5-9-18(14,2)3/h6-7,10-11,14H,4-5,8-9H2,1-3H3,(H,20,22).
What are the key properties of N-(2,2-dimethylcyclohexyl)-9-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
N-(2,2-dimethylcyclohexyl)-9-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide has a molecular weight of 313.40 g/mol, XLogP of 2.70, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethylcyclohexyl)-9-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 136520292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).