4-chloro-N-(1-cyanocyclopentyl)-6-methylpyridine-3-carboxamide

C13H14ClN3O — CID 103893850

IUPAC4-chloro-N-(1-cyanocyclopentyl)-6-methylpyridine-3-carboxamide
SMILESCc1cc(Cl)c(C(=O)NC2(C#N)CCCC2)cn1
InChIInChI=1S/C13H14ClN3O/c1-9-6-11(14)10(7-16-9)12(18)17-13(8-15)4-2-3-5-13/h6-7H,2-5H2,1H3,(H,17,18)
InChIKeyBNBQMMBZILWBSG-UHFFFAOYSA-N
MW263.73 g/mol
LogP2.61
Rot. Bonds2

About 4-chloro-N-(1-cyanocyclopentyl)-6-methylpyridine-3-carboxamide

4-chloro-N-(1-cyanocyclopentyl)-6-methylpyridine-3-carboxamide (PubChem CID 103893850) has the molecular formula C13H14ClN3O and a molecular weight of 263.73 g/mol. Its IUPAC name is 4-chloro-N-(1-cyanocyclopentyl)-6-methylpyridine-3-carboxamide.

Molecular Properties

Compound Name4-chloro-N-(1-cyanocyclopentyl)-6-methylpyridine-3-carboxamide
PubChem CID103893850
Molecular FormulaC13H14ClN3O
Molecular Weight263.73 g/mol
Exact Mass263.08
IUPAC Name4-chloro-N-(1-cyanocyclopentyl)-6-methylpyridine-3-carboxamide
SMILESCc1cc(Cl)c(C(=O)NC2(C#N)CCCC2)cn1
InChIInChI=1S/C13H14ClN3O/c1-9-6-11(14)10(7-16-9)12(18)17-13(8-15)4-2-3-5-13/h6-7H,2-5H2,1H3,(H,17,18)
InChIKeyBNBQMMBZILWBSG-UHFFFAOYSA-N
XLogP2.61
TPSA65.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.73
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-6-methyl-N-(1-methylcyclopentyl)pyridine-3-carboxamide
CID 81226891
4-amino-2-chloro-N-(1-cyanocyclohexyl)benzamide
CID 110474001
N-(1-cyanocyclohexyl)-1,5-dimethylpyrazole-4-carboxamide
CID 60709599
5-amino-2-chloro-N-(1-cyanocyclohexyl)benzamide
CID 110473984
2-chloro-N-(1-cyanocyclopentyl)-5-nitropyridine-4-carboxamide
CID 103733579
4-chloro-N-(1-cyanocyclobutyl)-5-ethylpyridine-2-carboxamide
CID 166087576
2,6-dichloro-N-(1-cyanocycloheptyl)pyridine-4-carboxamide
CID 60966983
5-chloro-N-(1-cyanocyclooctyl)pyrazine-2-carboxamide
CID 107248634
5-bromo-2-chloro-N-(1-cyanocyclobutyl)benzamide
CID 54912686
6-chloro-N-(1-cyanocycloheptyl)pyridine-3-carboxamide
CID 60967531
4-chloro-N-(1-cyanocyclohexyl)-2-hydroxybenzamide
CID 60717137
4-chloro-N-(1-cyanopropyl)-6-methylpyridine-3-carboxamide
CID 103859693

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(1-cyanocyclopentyl)-6-methylpyridine-3-carboxamide?
The IUPAC name of 4-chloro-N-(1-cyanocyclopentyl)-6-methylpyridine-3-carboxamide (CID 103893850) is 4-chloro-N-(1-cyanocyclopentyl)-6-methylpyridine-3-carboxamide.
What is the SMILES notation for 4-chloro-N-(1-cyanocyclopentyl)-6-methylpyridine-3-carboxamide?
The canonical SMILES for 4-chloro-N-(1-cyanocyclopentyl)-6-methylpyridine-3-carboxamide is Cc1cc(Cl)c(C(=O)NC2(C#N)CCCC2)cn1.
What is the InChIKey of 4-chloro-N-(1-cyanocyclopentyl)-6-methylpyridine-3-carboxamide?
The InChIKey is BNBQMMBZILWBSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClN3O/c1-9-6-11(14)10(7-16-9)12(18)17-13(8-15)4-2-3-5-13/h6-7H,2-5H2,1H3,(H,17,18).
What are the key properties of 4-chloro-N-(1-cyanocyclopentyl)-6-methylpyridine-3-carboxamide?
4-chloro-N-(1-cyanocyclopentyl)-6-methylpyridine-3-carboxamide has a molecular weight of 263.73 g/mol, XLogP of 2.61, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(1-cyanocyclopentyl)-6-methylpyridine-3-carboxamide is sourced from PubChem (CID 103893850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).