N-pyrazin-2-ylazepane-1-carboxamide

C11H16N4O — CID 110492146

IUPACN-pyrazin-2-ylazepane-1-carboxamide
SMILESO=C(Nc1cnccn1)N1CCCCCC1
InChIInChI=1S/C11H16N4O/c16-11(14-10-9-12-5-6-13-10)15-7-3-1-2-4-8-15/h5-6,9H,1-4,7-8H2,(H,13,14,16)
InChIKeyYXZHHMGMCNBWLP-UHFFFAOYSA-N
MW220.28 g/mol
LogP1.88
Rot. Bonds1

About N-pyrazin-2-ylazepane-1-carboxamide

N-pyrazin-2-ylazepane-1-carboxamide (PubChem CID 110492146) has the molecular formula C11H16N4O and a molecular weight of 220.28 g/mol. Its IUPAC name is N-pyrazin-2-ylazepane-1-carboxamide.

Molecular Properties

Compound NameN-pyrazin-2-ylazepane-1-carboxamide
PubChem CID110492146
Molecular FormulaC11H16N4O
Molecular Weight220.28 g/mol
Exact Mass220.13
IUPAC NameN-pyrazin-2-ylazepane-1-carboxamide
SMILESO=C(Nc1cnccn1)N1CCCCCC1
InChIInChI=1S/C11H16N4O/c16-11(14-10-9-12-5-6-13-10)15-7-3-1-2-4-8-15/h5-6,9H,1-4,7-8H2,(H,13,14,16)
InChIKeyYXZHHMGMCNBWLP-UHFFFAOYSA-N
XLogP1.88
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.28
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-pyrazin-2-ylazepane-1-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-pyrazin-2-ylpyrrolidine-1-carboxamide
CID 110492109
1-N-pyrazin-2-ylpiperidine-1,4-dicarboxamide
CID 110492224
3,5-dimethyl-N-pyrazin-2-ylpiperidine-1-carboxamide
CID 108893834
N-(4-methyl-2-pyridinyl)azepane-1-carboxamide
CID 127514123
N-(4-bromo-2-pyridinyl)piperidine-1-carboxamide
CID 102820657
4-(2-methoxyphenyl)-N-pyrazin-2-ylpiperazine-1-carboxamide
CID 110492522
N-[4-[[(1S)-1-pyrazin-2-ylethyl]amino]phenyl]azepane-1-carboxamide
CID 129398450
N-(1,3-oxazol-4-yl)pyrrolidine-1-carboxamide
CID 130667375
N-pyrazin-2-yl-2,7-diazaspiro[4.4]nonane-2-carboxamide
CID 110492221
2-morpholin-4-yl-2-oxo-N-pyrazin-2-ylacetamide
CID 117061770
N-pyrimidin-5-ylpyrrolidine-1-carboxamide
CID 104859346
N-(5-cyano-2-pyridinyl)azocane-1-carboxamide
CID 126839121

Frequently Asked Questions

What is the IUPAC name of N-pyrazin-2-ylazepane-1-carboxamide?
The IUPAC name of N-pyrazin-2-ylazepane-1-carboxamide (CID 110492146) is N-pyrazin-2-ylazepane-1-carboxamide.
What is the SMILES notation for N-pyrazin-2-ylazepane-1-carboxamide?
The canonical SMILES for N-pyrazin-2-ylazepane-1-carboxamide is O=C(Nc1cnccn1)N1CCCCCC1.
What is the InChIKey of N-pyrazin-2-ylazepane-1-carboxamide?
The InChIKey is YXZHHMGMCNBWLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O/c16-11(14-10-9-12-5-6-13-10)15-7-3-1-2-4-8-15/h5-6,9H,1-4,7-8H2,(H,13,14,16).
What are the key properties of N-pyrazin-2-ylazepane-1-carboxamide?
N-pyrazin-2-ylazepane-1-carboxamide has a molecular weight of 220.28 g/mol, XLogP of 1.88, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-pyrazin-2-ylazepane-1-carboxamide is sourced from PubChem (CID 110492146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).