4-chloro-N-(1-cyanocyclobutyl)-5-ethylpyridine-2-carboxamide

C13H14ClN3O — CID 166087576

IUPAC4-chloro-N-(1-cyanocyclobutyl)-5-ethylpyridine-2-carboxamide
SMILESCCc1cnc(C(=O)NC2(C#N)CCC2)cc1Cl
InChIInChI=1S/C13H14ClN3O/c1-2-9-7-16-11(6-10(9)14)12(18)17-13(8-15)4-3-5-13/h6-7H,2-5H2,1H3,(H,17,18)
InChIKeyBBEJHALACOKIRL-UHFFFAOYSA-N
MW263.73 g/mol
LogP2.47
Rot. Bonds3

About 4-chloro-N-(1-cyanocyclobutyl)-5-ethylpyridine-2-carboxamide

4-chloro-N-(1-cyanocyclobutyl)-5-ethylpyridine-2-carboxamide (PubChem CID 166087576) has the molecular formula C13H14ClN3O and a molecular weight of 263.73 g/mol. Its IUPAC name is 4-chloro-N-(1-cyanocyclobutyl)-5-ethylpyridine-2-carboxamide.

Molecular Properties

Compound Name4-chloro-N-(1-cyanocyclobutyl)-5-ethylpyridine-2-carboxamide
PubChem CID166087576
Molecular FormulaC13H14ClN3O
Molecular Weight263.73 g/mol
Exact Mass263.08
IUPAC Name4-chloro-N-(1-cyanocyclobutyl)-5-ethylpyridine-2-carboxamide
SMILESCCc1cnc(C(=O)NC2(C#N)CCC2)cc1Cl
InChIInChI=1S/C13H14ClN3O/c1-2-9-7-16-11(6-10(9)14)12(18)17-13(8-15)4-3-5-13/h6-7H,2-5H2,1H3,(H,17,18)
InChIKeyBBEJHALACOKIRL-UHFFFAOYSA-N
XLogP2.47
TPSA65.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.73
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-chloro-N-(1-cyanocyclooctyl)pyrazine-2-carboxamide
CID 107248634
5-(bromomethyl)-N-(1-cyanocyclopropyl)-4-methoxypyridine-2-carboxamide
CID 166088133
4-chloro-N-(1-cyanocyclopentyl)-6-methylpyridine-3-carboxamide
CID 103893850
4-chloro-N-(1-cyanocyclohexyl)pyridine-2-carboxamide
CID 78831230
6-chloro-N-(1-cyanocyclopentyl)pyridazine-3-carboxamide
CID 114036737
N-(1-cyanocycloheptyl)-3-ethylthiophene-2-carboxamide
CID 78969874
2,6-dichloro-N-(1-cyanocycloheptyl)pyridine-4-carboxamide
CID 60966983
6-chloro-N-(1-cyanocycloheptyl)pyridine-3-carboxamide
CID 60967531
5-bromo-2-chloro-N-(1-cyanocyclobutyl)benzamide
CID 54912686
4-[[2-(4-tert-butyl-2-chloro-5-hydroxyphenyl)acetyl]amino]-N-(1-cyanocyclopropyl)pyridine-2-carboxamide
CID 155588572
2-(3-chlorophenyl)-N-(1-cyanocyclobutyl)-1,3-thiazole-4-carboxamide
CID 47084109
N-(1-cyanocyclopropyl)pyridine-2-carboxamide
CID 160579083

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(1-cyanocyclobutyl)-5-ethylpyridine-2-carboxamide?
The IUPAC name of 4-chloro-N-(1-cyanocyclobutyl)-5-ethylpyridine-2-carboxamide (CID 166087576) is 4-chloro-N-(1-cyanocyclobutyl)-5-ethylpyridine-2-carboxamide.
What is the SMILES notation for 4-chloro-N-(1-cyanocyclobutyl)-5-ethylpyridine-2-carboxamide?
The canonical SMILES for 4-chloro-N-(1-cyanocyclobutyl)-5-ethylpyridine-2-carboxamide is CCc1cnc(C(=O)NC2(C#N)CCC2)cc1Cl.
What is the InChIKey of 4-chloro-N-(1-cyanocyclobutyl)-5-ethylpyridine-2-carboxamide?
The InChIKey is BBEJHALACOKIRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClN3O/c1-2-9-7-16-11(6-10(9)14)12(18)17-13(8-15)4-3-5-13/h6-7H,2-5H2,1H3,(H,17,18).
What are the key properties of 4-chloro-N-(1-cyanocyclobutyl)-5-ethylpyridine-2-carboxamide?
4-chloro-N-(1-cyanocyclobutyl)-5-ethylpyridine-2-carboxamide has a molecular weight of 263.73 g/mol, XLogP of 2.47, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(1-cyanocyclobutyl)-5-ethylpyridine-2-carboxamide is sourced from PubChem (CID 166087576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).