1-(5-chloropyridine-2-carbonyl)-4-methylpiperidine-4-carbonitrile

C13H14ClN3O — CID 113364813

IUPAC1-(5-chloropyridine-2-carbonyl)-4-methylpiperidine-4-carbonitrile
SMILESCC1(C#N)CCN(C(=O)c2ccc(Cl)cn2)CC1
InChIInChI=1S/C13H14ClN3O/c1-13(9-15)4-6-17(7-5-13)12(18)11-3-2-10(14)8-16-11/h2-3,8H,4-7H2,1H3
InChIKeyWETAUUAZYUKCOO-UHFFFAOYSA-N
MW263.73 g/mol
LogP2.50
Rot. Bonds1

About 1-(5-chloropyridine-2-carbonyl)-4-methylpiperidine-4-carbonitrile

1-(5-chloropyridine-2-carbonyl)-4-methylpiperidine-4-carbonitrile (PubChem CID 113364813) has the molecular formula C13H14ClN3O and a molecular weight of 263.73 g/mol. Its IUPAC name is 1-(5-chloropyridine-2-carbonyl)-4-methylpiperidine-4-carbonitrile.

Molecular Properties

Compound Name1-(5-chloropyridine-2-carbonyl)-4-methylpiperidine-4-carbonitrile
PubChem CID113364813
Molecular FormulaC13H14ClN3O
Molecular Weight263.73 g/mol
Exact Mass263.08
IUPAC Name1-(5-chloropyridine-2-carbonyl)-4-methylpiperidine-4-carbonitrile
SMILESCC1(C#N)CCN(C(=O)c2ccc(Cl)cn2)CC1
InChIInChI=1S/C13H14ClN3O/c1-13(9-15)4-6-17(7-5-13)12(18)11-3-2-10(14)8-16-11/h2-3,8H,4-7H2,1H3
InChIKeyWETAUUAZYUKCOO-UHFFFAOYSA-N
XLogP2.50
TPSA56.99 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.73
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(5-chloro-2-pyridinyl)-(3-hydroxy-3-methylpyrrolidin-1-yl)methanone
CID 103727395
1-(5-chloropyridine-2-carbonyl)-4-methylpiperidine-4-carbothioamide
CID 107160880
(5-chloro-2-pyridinyl)-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone
CID 78995303
3-amino-1-(5-chloropyridine-2-carbonyl)pyrrolidine-3-carboxylic acid
CID 107322971
(4-amino-3,3-dimethylpiperidin-1-yl)-(5-chloro-2-pyridinyl)methanone
CID 120818056
1-(2-chloro-5-hydroxybenzoyl)-4-methylpiperidine-4-carbonitrile
CID 107160760
5-[4-(5-chloropyridine-2-carbonyl)-1,4-diazepane-1-carbonyl]-1-methylpyrrole-3-carbonitrile
CID 135092194
6-(4,4-dimethylazepane-1-carbonyl)pyridine-3-carbonitrile
CID 65281399
8-(5-chloropyridine-2-carbonyl)-1-(2-methylpropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 165427661
(5-chloro-2-pyridinyl)-(2,2-dimethylpiperazin-1-yl)methanone
CID 65461122
2-(5-chloropyridine-2-carbonyl)-6-oxa-2,9-diazaspiro[4.5]decan-8-one
CID 139598609
(4a-hydroxy-1,3,4,5,6,7,8,8a-octahydroisoquinolin-2-yl)-(5-chloro-2-pyridinyl)methanone
CID 81098091

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloropyridine-2-carbonyl)-4-methylpiperidine-4-carbonitrile?
The IUPAC name of 1-(5-chloropyridine-2-carbonyl)-4-methylpiperidine-4-carbonitrile (CID 113364813) is 1-(5-chloropyridine-2-carbonyl)-4-methylpiperidine-4-carbonitrile.
What is the SMILES notation for 1-(5-chloropyridine-2-carbonyl)-4-methylpiperidine-4-carbonitrile?
The canonical SMILES for 1-(5-chloropyridine-2-carbonyl)-4-methylpiperidine-4-carbonitrile is CC1(C#N)CCN(C(=O)c2ccc(Cl)cn2)CC1.
What is the InChIKey of 1-(5-chloropyridine-2-carbonyl)-4-methylpiperidine-4-carbonitrile?
The InChIKey is WETAUUAZYUKCOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClN3O/c1-13(9-15)4-6-17(7-5-13)12(18)11-3-2-10(14)8-16-11/h2-3,8H,4-7H2,1H3.
What are the key properties of 1-(5-chloropyridine-2-carbonyl)-4-methylpiperidine-4-carbonitrile?
1-(5-chloropyridine-2-carbonyl)-4-methylpiperidine-4-carbonitrile has a molecular weight of 263.73 g/mol, XLogP of 2.50, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloropyridine-2-carbonyl)-4-methylpiperidine-4-carbonitrile is sourced from PubChem (CID 113364813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).