N-[[4-(methylcarbamoyl)cyclohexyl]methyl]-6-oxo-1H-pyrazine-3-carboxamide

C14H20N4O3 — CID 77084522

IUPACN-[[4-(methylcarbamoyl)cyclohexyl]methyl]-6-oxo-1H-pyrazine-3-carboxamide
SMILESCNC(=O)C1CCC(CNC(=O)c2c[nH]c(=O)cn2)CC1
InChIInChI=1S/C14H20N4O3/c1-15-13(20)10-4-2-9(3-5-10)6-18-14(21)11-7-17-12(19)8-16-11/h7-10H,2-6H2,1H3,(H,15,20)(H,17,19)(H,18,21)
InChIKeyHMRKOPDFFCQUCQ-UHFFFAOYSA-N
MW292.34 g/mol
LogP0.05
Rot. Bonds4

About N-[[4-(methylcarbamoyl)cyclohexyl]methyl]-6-oxo-1H-pyrazine-3-carboxamide

N-[[4-(methylcarbamoyl)cyclohexyl]methyl]-6-oxo-1H-pyrazine-3-carboxamide (PubChem CID 77084522) has the molecular formula C14H20N4O3 and a molecular weight of 292.34 g/mol. Its IUPAC name is N-[[4-(methylcarbamoyl)cyclohexyl]methyl]-6-oxo-1H-pyrazine-3-carboxamide.

Molecular Properties

Compound NameN-[[4-(methylcarbamoyl)cyclohexyl]methyl]-6-oxo-1H-pyrazine-3-carboxamide
PubChem CID77084522
Molecular FormulaC14H20N4O3
Molecular Weight292.34 g/mol
Exact Mass292.15
IUPAC NameN-[[4-(methylcarbamoyl)cyclohexyl]methyl]-6-oxo-1H-pyrazine-3-carboxamide
SMILESCNC(=O)C1CCC(CNC(=O)c2c[nH]c(=O)cn2)CC1
InChIInChI=1S/C14H20N4O3/c1-15-13(20)10-4-2-9(3-5-10)6-18-14(21)11-7-17-12(19)8-16-11/h7-10H,2-6H2,1H3,(H,15,20)(H,17,19)(H,18,21)
InChIKeyHMRKOPDFFCQUCQ-UHFFFAOYSA-N
XLogP0.05
TPSA103.95 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 50.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze N-[[4-(methylcarbamoyl)cyclohexyl]methyl]-6-oxo-1H-pyrazine-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-[[4-(methylcarbamoyl)cyclohexyl]methyl]-6-oxo-1H-pyrazine-3-carboxamide?
The IUPAC name of N-[[4-(methylcarbamoyl)cyclohexyl]methyl]-6-oxo-1H-pyrazine-3-carboxamide (CID 77084522) is N-[[4-(methylcarbamoyl)cyclohexyl]methyl]-6-oxo-1H-pyrazine-3-carboxamide.
What is the SMILES notation for N-[[4-(methylcarbamoyl)cyclohexyl]methyl]-6-oxo-1H-pyrazine-3-carboxamide?
The canonical SMILES for N-[[4-(methylcarbamoyl)cyclohexyl]methyl]-6-oxo-1H-pyrazine-3-carboxamide is CNC(=O)C1CCC(CNC(=O)c2c[nH]c(=O)cn2)CC1.
What is the InChIKey of N-[[4-(methylcarbamoyl)cyclohexyl]methyl]-6-oxo-1H-pyrazine-3-carboxamide?
The InChIKey is HMRKOPDFFCQUCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O3/c1-15-13(20)10-4-2-9(3-5-10)6-18-14(21)11-7-17-12(19)8-16-11/h7-10H,2-6H2,1H3,(H,15,20)(H,17,19)(H,18,21).
What are the key properties of N-[[4-(methylcarbamoyl)cyclohexyl]methyl]-6-oxo-1H-pyrazine-3-carboxamide?
N-[[4-(methylcarbamoyl)cyclohexyl]methyl]-6-oxo-1H-pyrazine-3-carboxamide has a molecular weight of 292.34 g/mol, XLogP of 0.05, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(methylcarbamoyl)cyclohexyl]methyl]-6-oxo-1H-pyrazine-3-carboxamide is sourced from PubChem (CID 77084522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).