N-cycloheptyl-2-methyl-6-oxo-1H-pyrimidine-5-carboxamide

C13H19N3O2 — CID 110855515

IUPACN-cycloheptyl-2-methyl-6-oxo-1H-pyrimidine-5-carboxamide
SMILESCc1ncc(C(=O)NC2CCCCCC2)c(=O)[nH]1
InChIInChI=1S/C13H19N3O2/c1-9-14-8-11(12(17)15-9)13(18)16-10-6-4-2-3-5-7-10/h8,10H,2-7H2,1H3,(H,16,18)(H,14,15,17)
InChIKeyLCDDNZJDXZAGKL-UHFFFAOYSA-N
MW249.31 g/mol
LogP1.53
Rot. Bonds2

About N-cycloheptyl-2-methyl-6-oxo-1H-pyrimidine-5-carboxamide

N-cycloheptyl-2-methyl-6-oxo-1H-pyrimidine-5-carboxamide (PubChem CID 110855515) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is N-cycloheptyl-2-methyl-6-oxo-1H-pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-cycloheptyl-2-methyl-6-oxo-1H-pyrimidine-5-carboxamide
PubChem CID110855515
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC NameN-cycloheptyl-2-methyl-6-oxo-1H-pyrimidine-5-carboxamide
SMILESCc1ncc(C(=O)NC2CCCCCC2)c(=O)[nH]1
InChIInChI=1S/C13H19N3O2/c1-9-14-8-11(12(17)15-9)13(18)16-10-6-4-2-3-5-7-10/h8,10H,2-7H2,1H3,(H,16,18)(H,14,15,17)
InChIKeyLCDDNZJDXZAGKL-UHFFFAOYSA-N
XLogP1.53
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-cycloheptyl-2-methyl-6-oxo-1H-pyrimidine-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-methyl-4-oxo-7,8,9,10-tetrahydro-6H-pyrimido[1,2-a]azepin-1-ium-3-carboxamide
CID 20488275
N-[rel-(1R,3R)-3-aminocyclopentyl]-2-isopropyl-6-oxo-1,6-dihydro-5-pyrimidinecarboxamide hydrochloride
CID 56749058
N-(1-cycloheptyl-5-oxopyrrolidin-3-yl)-6-oxo-2-propan-2-yl-1H-pyrimidine-5-carboxamide
CID 56884213
5-({2-[2-(dimethylamino)ethyl]-1-piperidinyl}carbonyl)-2-methyl-4(3H)-pyrimidinone
CID 56914559
5-methyl-2-(piperidin-2-ylmethyl)-1H-pyrimidin-6-one
CID 84675424
2-(azepan-2-ylmethyl)-5-methyl-1H-pyrimidin-6-one
CID 84686961
5-[(4-aminoazepan-1-yl)carbonyl]-2-methylpyrimidin-4(3H)-one
CID 91766559
5-[(2R)-2-[2-(dimethylamino)ethyl]piperidine-1-carbonyl]-2-methyl-1H-pyrimidin-6-one
CID 95896274
5-[(2S)-2-[2-(dimethylamino)ethyl]piperidine-1-carbonyl]-2-methyl-1H-pyrimidin-6-one
CID 95896275
N-cyclopropyl-2-methyl-6-oxo-1H-pyrimidine-5-carboxamide
CID 95916096
N-cyclopentyl-2-methyl-6-oxo-1H-pyrimidine-5-carboxamide
CID 95916099
5-[(4R)-4-aminoazepane-1-carbonyl]-2-methyl-1H-pyrimidin-6-one
CID 100030385

Frequently Asked Questions

What is the IUPAC name of N-cycloheptyl-2-methyl-6-oxo-1H-pyrimidine-5-carboxamide?
The IUPAC name of N-cycloheptyl-2-methyl-6-oxo-1H-pyrimidine-5-carboxamide (CID 110855515) is N-cycloheptyl-2-methyl-6-oxo-1H-pyrimidine-5-carboxamide.
What is the SMILES notation for N-cycloheptyl-2-methyl-6-oxo-1H-pyrimidine-5-carboxamide?
The canonical SMILES for N-cycloheptyl-2-methyl-6-oxo-1H-pyrimidine-5-carboxamide is Cc1ncc(C(=O)NC2CCCCCC2)c(=O)[nH]1.
What is the InChIKey of N-cycloheptyl-2-methyl-6-oxo-1H-pyrimidine-5-carboxamide?
The InChIKey is LCDDNZJDXZAGKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2/c1-9-14-8-11(12(17)15-9)13(18)16-10-6-4-2-3-5-7-10/h8,10H,2-7H2,1H3,(H,16,18)(H,14,15,17).
What are the key properties of N-cycloheptyl-2-methyl-6-oxo-1H-pyrimidine-5-carboxamide?
N-cycloheptyl-2-methyl-6-oxo-1H-pyrimidine-5-carboxamide has a molecular weight of 249.31 g/mol, XLogP of 1.53, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptyl-2-methyl-6-oxo-1H-pyrimidine-5-carboxamide is sourced from PubChem (CID 110855515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).