N-(5-chloropyrazin-2-yl)-4-methylcyclohexane-1-carboxamide

C12H16ClN3O — CID 107595689

IUPACN-(5-chloropyrazin-2-yl)-4-methylcyclohexane-1-carboxamide
SMILESCC1CCC(C(=O)Nc2cnc(Cl)cn2)CC1
InChIInChI=1S/C12H16ClN3O/c1-8-2-4-9(5-3-8)12(17)16-11-7-14-10(13)6-15-11/h6-9H,2-5H2,1H3,(H,15,16,17)
InChIKeySGUNGAZJDZLZDE-UHFFFAOYSA-N
MW253.73 g/mol
LogP2.89
Rot. Bonds2

About N-(5-chloropyrazin-2-yl)-4-methylcyclohexane-1-carboxamide

N-(5-chloropyrazin-2-yl)-4-methylcyclohexane-1-carboxamide (PubChem CID 107595689) has the molecular formula C12H16ClN3O and a molecular weight of 253.73 g/mol. Its IUPAC name is N-(5-chloropyrazin-2-yl)-4-methylcyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-(5-chloropyrazin-2-yl)-4-methylcyclohexane-1-carboxamide
PubChem CID107595689
Molecular FormulaC12H16ClN3O
Molecular Weight253.73 g/mol
Exact Mass253.10
IUPAC NameN-(5-chloropyrazin-2-yl)-4-methylcyclohexane-1-carboxamide
SMILESCC1CCC(C(=O)Nc2cnc(Cl)cn2)CC1
InChIInChI=1S/C12H16ClN3O/c1-8-2-4-9(5-3-8)12(17)16-11-7-14-10(13)6-15-11/h6-9H,2-5H2,1H3,(H,15,16,17)
InChIKeySGUNGAZJDZLZDE-UHFFFAOYSA-N
XLogP2.89
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.73
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(5-chloropyrazin-2-yl)-4,4-difluorocyclohexane-1-carboxamide
CID 107595812
N-(5-bromopyrazin-2-yl)-4-methylcyclohexane-1-carboxamide
CID 80502105
N'-(5-chloropyrazin-2-yl)cyclopropanecarbohydrazide
CID 134542828
trans-(1S,3S)-3-methyl-N-(5-methyl-2-pyridinyl)cyclopentane-1-carboxamide
CID 58763333
N-(2-chloropyrimidin-4-yl)-4-methylcyclohexane-1-carboxamide
CID 116798469
N-(5-chloropyrazin-2-yl)thiolane-2-carboxamide
CID 107595679
N-(5-chloropyrazin-2-yl)-2,2-dimethylpropanamide
CID 107595750
N-(6-amino-3-pyridinyl)-4-methylcyclohexane-1-carboxamide
CID 81478295
N-(4-bromo-2-pyridinyl)-4-methylcyclohexane-1-carboxamide
CID 102674384
N-(5-chloropyrazin-2-yl)-3,3-dimethylbutanamide
CID 104964213
trans-(1R,3R)-3-[(5-bromo-2-pyridinyl)carbamoyl]cyclopentane-1-carboxylic acid
CID 95401107
N-(5-ethyl-1H-pyrazol-3-yl)-4-methylcyclohexane-1-carboxamide
CID 113245552

Frequently Asked Questions

What is the IUPAC name of N-(5-chloropyrazin-2-yl)-4-methylcyclohexane-1-carboxamide?
The IUPAC name of N-(5-chloropyrazin-2-yl)-4-methylcyclohexane-1-carboxamide (CID 107595689) is N-(5-chloropyrazin-2-yl)-4-methylcyclohexane-1-carboxamide.
What is the SMILES notation for N-(5-chloropyrazin-2-yl)-4-methylcyclohexane-1-carboxamide?
The canonical SMILES for N-(5-chloropyrazin-2-yl)-4-methylcyclohexane-1-carboxamide is CC1CCC(C(=O)Nc2cnc(Cl)cn2)CC1.
What is the InChIKey of N-(5-chloropyrazin-2-yl)-4-methylcyclohexane-1-carboxamide?
The InChIKey is SGUNGAZJDZLZDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClN3O/c1-8-2-4-9(5-3-8)12(17)16-11-7-14-10(13)6-15-11/h6-9H,2-5H2,1H3,(H,15,16,17).
What are the key properties of N-(5-chloropyrazin-2-yl)-4-methylcyclohexane-1-carboxamide?
N-(5-chloropyrazin-2-yl)-4-methylcyclohexane-1-carboxamide has a molecular weight of 253.73 g/mol, XLogP of 2.89, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloropyrazin-2-yl)-4-methylcyclohexane-1-carboxamide is sourced from PubChem (CID 107595689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).