5-chloro-N-(cyclohexylmethyl)pyrazine-2-carboxamide

C12H16ClN3O — CID 107236593

IUPAC5-chloro-N-(cyclohexylmethyl)pyrazine-2-carboxamide
SMILESO=C(NCC1CCCCC1)c1cnc(Cl)cn1
InChIInChI=1S/C12H16ClN3O/c13-11-8-14-10(7-15-11)12(17)16-6-9-4-2-1-3-5-9/h7-9H,1-6H2,(H,16,17)
InChIKeyKTCNLVZKEIXVKK-UHFFFAOYSA-N
MW253.73 g/mol
LogP2.44
Rot. Bonds3

About 5-chloro-N-(cyclohexylmethyl)pyrazine-2-carboxamide

5-chloro-N-(cyclohexylmethyl)pyrazine-2-carboxamide (PubChem CID 107236593) has the molecular formula C12H16ClN3O and a molecular weight of 253.73 g/mol. Its IUPAC name is 5-chloro-N-(cyclohexylmethyl)pyrazine-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-(cyclohexylmethyl)pyrazine-2-carboxamide
PubChem CID107236593
Molecular FormulaC12H16ClN3O
Molecular Weight253.73 g/mol
Exact Mass253.10
IUPAC Name5-chloro-N-(cyclohexylmethyl)pyrazine-2-carboxamide
SMILESO=C(NCC1CCCCC1)c1cnc(Cl)cn1
InChIInChI=1S/C12H16ClN3O/c13-11-8-14-10(7-15-11)12(17)16-6-9-4-2-1-3-5-9/h7-9H,1-6H2,(H,16,17)
InChIKeyKTCNLVZKEIXVKK-UHFFFAOYSA-N
XLogP2.44
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.73
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(cyclohexylmethyl)-5-methylpyrazine-2-carboxamide
CID 855752
5-chloro-N-[(1-methylpyrrolidin-3-yl)methyl]pyrazine-2-carboxamide
CID 103803729
N-(cyclopentylmethyl)-5-hydrazinylpyrazine-2-carboxamide
CID 107378088
5-chloro-N-[(1,1-dioxothiolan-2-yl)methyl]pyrazine-2-carboxamide
CID 107258047
5-cyano-N-(cyclopentylmethyl)pyridine-2-carboxamide
CID 63718941
5-chloro-N-(3-ethylcyclohexyl)pyrazine-2-carboxamide
CID 107257826
N-(cyclohexylmethyl)-1H-pyrazole-4-carboxamide
CID 6734414
methyl 2-[(5-chloropyrazine-2-carbonyl)amino]acetate
CID 103817109
N-(cyclopentylmethyl)-5-(N'-hydroxycarbamimidoyl)pyridine-2-carboxamide
CID 77005094
6-chloro-N-(cyclopentylmethyl)-4-propan-2-ylpyridine-3-carboxamide
CID 58731796
N-(2-amino-2-oxoethyl)-5-chloropyrazine-2-carboxamide
CID 107243491
5-chloro-N-(3-hydroxypropyl)pyrazine-2-carboxamide
CID 107245707

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(cyclohexylmethyl)pyrazine-2-carboxamide?
The IUPAC name of 5-chloro-N-(cyclohexylmethyl)pyrazine-2-carboxamide (CID 107236593) is 5-chloro-N-(cyclohexylmethyl)pyrazine-2-carboxamide.
What is the SMILES notation for 5-chloro-N-(cyclohexylmethyl)pyrazine-2-carboxamide?
The canonical SMILES for 5-chloro-N-(cyclohexylmethyl)pyrazine-2-carboxamide is O=C(NCC1CCCCC1)c1cnc(Cl)cn1.
What is the InChIKey of 5-chloro-N-(cyclohexylmethyl)pyrazine-2-carboxamide?
The InChIKey is KTCNLVZKEIXVKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClN3O/c13-11-8-14-10(7-15-11)12(17)16-6-9-4-2-1-3-5-9/h7-9H,1-6H2,(H,16,17).
What are the key properties of 5-chloro-N-(cyclohexylmethyl)pyrazine-2-carboxamide?
5-chloro-N-(cyclohexylmethyl)pyrazine-2-carboxamide has a molecular weight of 253.73 g/mol, XLogP of 2.44, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(cyclohexylmethyl)pyrazine-2-carboxamide is sourced from PubChem (CID 107236593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).