5-chloro-N-(1-cyanocyclooctyl)pyrazine-2-carboxamide

C14H17ClN4O — CID 107248634

IUPAC5-chloro-N-(1-cyanocyclooctyl)pyrazine-2-carboxamide
SMILESN#CC1(NC(=O)c2cnc(Cl)cn2)CCCCCCC1
InChIInChI=1S/C14H17ClN4O/c15-12-9-17-11(8-18-12)13(20)19-14(10-16)6-4-2-1-3-5-7-14/h8-9H,1-7H2,(H,19,20)
InChIKeyQWIBANRSGCSYRD-UHFFFAOYSA-N
MW292.77 g/mol
LogP2.87
Rot. Bonds2

About 5-chloro-N-(1-cyanocyclooctyl)pyrazine-2-carboxamide

5-chloro-N-(1-cyanocyclooctyl)pyrazine-2-carboxamide (PubChem CID 107248634) has the molecular formula C14H17ClN4O and a molecular weight of 292.77 g/mol. Its IUPAC name is 5-chloro-N-(1-cyanocyclooctyl)pyrazine-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-(1-cyanocyclooctyl)pyrazine-2-carboxamide
PubChem CID107248634
Molecular FormulaC14H17ClN4O
Molecular Weight292.77 g/mol
Exact Mass292.11
IUPAC Name5-chloro-N-(1-cyanocyclooctyl)pyrazine-2-carboxamide
SMILESN#CC1(NC(=O)c2cnc(Cl)cn2)CCCCCCC1
InChIInChI=1S/C14H17ClN4O/c15-12-9-17-11(8-18-12)13(20)19-14(10-16)6-4-2-1-3-5-7-14/h8-9H,1-7H2,(H,19,20)
InChIKeyQWIBANRSGCSYRD-UHFFFAOYSA-N
XLogP2.87
TPSA78.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.77
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-chloro-N-(1-cyanocycloheptyl)pyridine-3-carboxamide
CID 60967531
1-[(5-chloropyrazine-2-carbonyl)amino]cycloheptane-1-carboxylic acid
CID 107371425
6-chloro-N-(1-cyanocyclopentyl)pyridazine-3-carboxamide
CID 114036737
4-chloro-N-(1-cyanocyclohexyl)pyridine-2-carboxamide
CID 78831230
2,6-dichloro-N-(1-cyanocycloheptyl)pyridine-4-carboxamide
CID 60966983
4-chloro-N-(1-cyanocyclobutyl)-5-ethylpyridine-2-carboxamide
CID 166087576
2-chloro-N-(1-cyanocyclopentyl)-5-nitropyridine-4-carboxamide
CID 103733579
5-chloro-N-(1-cyanocyclohexyl)-N-methylpyrazine-2-carboxamide
CID 107371975
4-chloro-N-(1-cyanocyclopentyl)-6-methylpyridine-3-carboxamide
CID 103893850
N-(1-cyanocyclohexyl)pyridazine-4-carboxamide
CID 112705399
N-(1-cyanocyclopropyl)pyridine-2-carboxamide
CID 160579083
5-chloro-N-(1-cyanocyclohexyl)thiophene-2-carboxamide
CID 55021425

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(1-cyanocyclooctyl)pyrazine-2-carboxamide?
The IUPAC name of 5-chloro-N-(1-cyanocyclooctyl)pyrazine-2-carboxamide (CID 107248634) is 5-chloro-N-(1-cyanocyclooctyl)pyrazine-2-carboxamide.
What is the SMILES notation for 5-chloro-N-(1-cyanocyclooctyl)pyrazine-2-carboxamide?
The canonical SMILES for 5-chloro-N-(1-cyanocyclooctyl)pyrazine-2-carboxamide is N#CC1(NC(=O)c2cnc(Cl)cn2)CCCCCCC1.
What is the InChIKey of 5-chloro-N-(1-cyanocyclooctyl)pyrazine-2-carboxamide?
The InChIKey is QWIBANRSGCSYRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN4O/c15-12-9-17-11(8-18-12)13(20)19-14(10-16)6-4-2-1-3-5-7-14/h8-9H,1-7H2,(H,19,20).
What are the key properties of 5-chloro-N-(1-cyanocyclooctyl)pyrazine-2-carboxamide?
5-chloro-N-(1-cyanocyclooctyl)pyrazine-2-carboxamide has a molecular weight of 292.77 g/mol, XLogP of 2.87, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(1-cyanocyclooctyl)pyrazine-2-carboxamide is sourced from PubChem (CID 107248634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).