3-chloro-N-(2-oxo-2-piperidin-1-ylethyl)pyridine-4-carboxamide

C13H16ClN3O2 — CID 112695851

IUPAC3-chloro-N-(2-oxo-2-piperidin-1-ylethyl)pyridine-4-carboxamide
SMILESO=C(NCC(=O)N1CCCCC1)c1ccncc1Cl
InChIInChI=1S/C13H16ClN3O2/c14-11-8-15-5-4-10(11)13(19)16-9-12(18)17-6-2-1-3-7-17/h4-5,8H,1-3,6-7,9H2,(H,16,19)
InChIKeyYJNXUYAIKSSOCI-UHFFFAOYSA-N
MW281.74 g/mol
LogP1.48
Rot. Bonds3

About 3-chloro-N-(2-oxo-2-piperidin-1-ylethyl)pyridine-4-carboxamide

3-chloro-N-(2-oxo-2-piperidin-1-ylethyl)pyridine-4-carboxamide (PubChem CID 112695851) has the molecular formula C13H16ClN3O2 and a molecular weight of 281.74 g/mol. Its IUPAC name is 3-chloro-N-(2-oxo-2-piperidin-1-ylethyl)pyridine-4-carboxamide.

Molecular Properties

Compound Name3-chloro-N-(2-oxo-2-piperidin-1-ylethyl)pyridine-4-carboxamide
PubChem CID112695851
Molecular FormulaC13H16ClN3O2
Molecular Weight281.74 g/mol
Exact Mass281.09
IUPAC Name3-chloro-N-(2-oxo-2-piperidin-1-ylethyl)pyridine-4-carboxamide
SMILESO=C(NCC(=O)N1CCCCC1)c1ccncc1Cl
InChIInChI=1S/C13H16ClN3O2/c14-11-8-15-5-4-10(11)13(19)16-9-12(18)17-6-2-1-3-7-17/h4-5,8H,1-3,6-7,9H2,(H,16,19)
InChIKeyYJNXUYAIKSSOCI-UHFFFAOYSA-N
XLogP1.48
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.74
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2R)-2-(azepan-1-yl)-2-phenylethyl]-3-chloropyridine-4-carboxamide
CID 125168048
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3-chloro-N-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)pyridine-4-carboxamide
CID 113246489
2,5-dichloro-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzamide
CID 70640697
3-chloro-N-(3-morpholin-4-yl-3-oxopropyl)pyridine-4-carboxamide
CID 115667142
2-chloro-4-(2-methylpropanoylamino)-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzamide
CID 70805291
N-[2-(tert-butylamino)-2-oxoethyl]-3-chloropyridine-4-carboxamide
CID 79079783
5-bromo-2-chloro-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzamide
CID 112683751
2-chloro-N-[2-oxo-2-[4-(pyridin-4-ylmethyl)piperazin-4-ium-1-yl]ethyl]benzamide
CID 9226247
3-chloro-N-[2-(dimethylamino)-2-oxoethyl]pyridine-4-carboxamide
CID 66464016
2-chloro-N-(2-oxo-2-piperazin-1-ylethyl)benzamide
CID 28708781
3-chloro-N-[(1-hydroxycyclohexyl)methyl]pyridine-4-carboxamide
CID 66483576

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(2-oxo-2-piperidin-1-ylethyl)pyridine-4-carboxamide?
The IUPAC name of 3-chloro-N-(2-oxo-2-piperidin-1-ylethyl)pyridine-4-carboxamide (CID 112695851) is 3-chloro-N-(2-oxo-2-piperidin-1-ylethyl)pyridine-4-carboxamide.
What is the SMILES notation for 3-chloro-N-(2-oxo-2-piperidin-1-ylethyl)pyridine-4-carboxamide?
The canonical SMILES for 3-chloro-N-(2-oxo-2-piperidin-1-ylethyl)pyridine-4-carboxamide is O=C(NCC(=O)N1CCCCC1)c1ccncc1Cl.
What is the InChIKey of 3-chloro-N-(2-oxo-2-piperidin-1-ylethyl)pyridine-4-carboxamide?
The InChIKey is YJNXUYAIKSSOCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClN3O2/c14-11-8-15-5-4-10(11)13(19)16-9-12(18)17-6-2-1-3-7-17/h4-5,8H,1-3,6-7,9H2,(H,16,19).
What are the key properties of 3-chloro-N-(2-oxo-2-piperidin-1-ylethyl)pyridine-4-carboxamide?
3-chloro-N-(2-oxo-2-piperidin-1-ylethyl)pyridine-4-carboxamide has a molecular weight of 281.74 g/mol, XLogP of 1.48, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(2-oxo-2-piperidin-1-ylethyl)pyridine-4-carboxamide is sourced from PubChem (CID 112695851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).