N-cycloheptyl-6-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide

C17H21N3O2 — CID 3079286

IUPACN-cycloheptyl-6-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
SMILESCc1cccc2ncc(C(=O)NC3CCCCCC3)c(=O)n12
InChIInChI=1S/C17H21N3O2/c1-12-7-6-10-15-18-11-14(17(22)20(12)15)16(21)19-13-8-4-2-3-5-9-13/h6-7,10-11,13H,2-5,8-9H2,1H3,(H,19,21)
InChIKeyXIKVBHWOSOPFKR-UHFFFAOYSA-N
MW299.37 g/mol
LogP2.46
Rot. Bonds2

About N-cycloheptyl-6-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide

N-cycloheptyl-6-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide (PubChem CID 3079286) has the molecular formula C17H21N3O2 and a molecular weight of 299.37 g/mol. Its IUPAC name is N-cycloheptyl-6-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-cycloheptyl-6-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
PubChem CID3079286
Molecular FormulaC17H21N3O2
Molecular Weight299.37 g/mol
Exact Mass299.16
IUPAC NameN-cycloheptyl-6-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
SMILESCc1cccc2ncc(C(=O)NC3CCCCCC3)c(=O)n12
InChIInChI=1S/C17H21N3O2/c1-12-7-6-10-15-18-11-14(17(22)20(12)15)16(21)19-13-8-4-2-3-5-9-13/h6-7,10-11,13H,2-5,8-9H2,1H3,(H,19,21)
InChIKeyXIKVBHWOSOPFKR-UHFFFAOYSA-N
XLogP2.46
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 ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-cycloheptyl-6-methyl-4-oxopyrido[1,2-a]pyrimidine-3-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 N-cycloheptyl-6-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The IUPAC name of N-cycloheptyl-6-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide (CID 3079286) is N-cycloheptyl-6-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-cycloheptyl-6-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-cycloheptyl-6-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide is Cc1cccc2ncc(C(=O)NC3CCCCCC3)c(=O)n12.
What is the InChIKey of N-cycloheptyl-6-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The InChIKey is XIKVBHWOSOPFKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O2/c1-12-7-6-10-15-18-11-14(17(22)20(12)15)16(21)19-13-8-4-2-3-5-9-13/h6-7,10-11,13H,2-5,8-9H2,1H3,(H,19,21).
What are the key properties of N-cycloheptyl-6-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
N-cycloheptyl-6-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide has a molecular weight of 299.37 g/mol, XLogP of 2.46, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptyl-6-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 3079286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).