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

C12H17N3O2 — CID 110855514

IUPACN-cycloheptyl-6-oxo-1H-pyrimidine-5-carboxamide
SMILESO=C(NC1CCCCCC1)c1cnc[nH]c1=O
InChIInChI=1S/C12H17N3O2/c16-11-10(7-13-8-14-11)12(17)15-9-5-3-1-2-4-6-9/h7-9H,1-6H2,(H,15,17)(H,13,14,16)
InChIKeyQBKPPUODOKCCIF-UHFFFAOYSA-N
MW235.29 g/mol
LogP1.22
Rot. Bonds2

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

N-cycloheptyl-6-oxo-1H-pyrimidine-5-carboxamide (PubChem CID 110855514) has the molecular formula C12H17N3O2 and a molecular weight of 235.29 g/mol. Its IUPAC name is N-cycloheptyl-6-oxo-1H-pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-cycloheptyl-6-oxo-1H-pyrimidine-5-carboxamide
PubChem CID110855514
Molecular FormulaC12H17N3O2
Molecular Weight235.29 g/mol
Exact Mass235.13
IUPAC NameN-cycloheptyl-6-oxo-1H-pyrimidine-5-carboxamide
SMILESO=C(NC1CCCCCC1)c1cnc[nH]c1=O
InChIInChI=1S/C12H17N3O2/c16-11-10(7-13-8-14-11)12(17)15-9-5-3-1-2-4-6-9/h7-9H,1-6H2,(H,15,17)(H,13,14,16)
InChIKeyQBKPPUODOKCCIF-UHFFFAOYSA-N
XLogP1.22
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-cycloheptyl-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

N-((1r,4r)-4-aminocyclohexyl)-4-hydroxypyrimidine-5-carboxamide
CID 132219876
N-((1r,4r)-4-(3-aminopropanamido)cyclohexyl)-4-hydroxypyrimidine-5-carboxamide
CID 132228054
N-[2-(azepan-1-yl)ethyl]-6-oxo-N-propan-2-yl-1H-pyrimidine-5-carboxamide
CID 50976814
5-[(4-aminoazepan-1-yl)carbonyl]-2-methylpyrimidin-4(3H)-one
CID 91766559
6-oxo-N-(1-propylpiperidin-4-yl)-1,6-dihydropyrimidine-5-carboxamide
CID 91769883
N-(1-cyclopentylpiperidin-4-yl)-6-oxo-1,6-dihydropyrimidine-5-carboxamide
CID 91771766
6-Oxo-1,6-dihydro-pyrimidine-5-carboxylic acid cyclopropylamide
CID 95916095
N-cyclopentyl-6-oxo-1H-pyrimidine-5-carboxamide
CID 95916098
5-[(4R)-4-aminoazepane-1-carbonyl]-2-methyl-1H-pyrimidin-6-one
CID 100030385
5-[(4S)-4-aminoazepane-1-carbonyl]-2-methyl-1H-pyrimidin-6-one
CID 100030387
6-oxo-N-propan-2-yl-1H-pyrimidine-5-carboxamide
CID 110847947
N-butyl-6-oxo-1H-pyrimidine-5-carboxamide
CID 110848283

Frequently Asked Questions

What is the IUPAC name of N-cycloheptyl-6-oxo-1H-pyrimidine-5-carboxamide?
The IUPAC name of N-cycloheptyl-6-oxo-1H-pyrimidine-5-carboxamide (CID 110855514) is N-cycloheptyl-6-oxo-1H-pyrimidine-5-carboxamide.
What is the SMILES notation for N-cycloheptyl-6-oxo-1H-pyrimidine-5-carboxamide?
The canonical SMILES for N-cycloheptyl-6-oxo-1H-pyrimidine-5-carboxamide is O=C(NC1CCCCCC1)c1cnc[nH]c1=O.
What is the InChIKey of N-cycloheptyl-6-oxo-1H-pyrimidine-5-carboxamide?
The InChIKey is QBKPPUODOKCCIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O2/c16-11-10(7-13-8-14-11)12(17)15-9-5-3-1-2-4-6-9/h7-9H,1-6H2,(H,15,17)(H,13,14,16).
What are the key properties of N-cycloheptyl-6-oxo-1H-pyrimidine-5-carboxamide?
N-cycloheptyl-6-oxo-1H-pyrimidine-5-carboxamide has a molecular weight of 235.29 g/mol, XLogP of 1.22, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptyl-6-oxo-1H-pyrimidine-5-carboxamide is sourced from PubChem (CID 110855514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).