4-chloro-N-(1-methyl-6-oxopiperidin-3-yl)pyridine-3-carboxamide

C12H14ClN3O2 — CID 81232502

IUPAC4-chloro-N-(1-methyl-6-oxopiperidin-3-yl)pyridine-3-carboxamide
SMILESCN1CC(NC(=O)c2cnccc2Cl)CCC1=O
InChIInChI=1S/C12H14ClN3O2/c1-16-7-8(2-3-11(16)17)15-12(18)9-6-14-5-4-10(9)13/h4-6,8H,2-3,7H2,1H3,(H,15,18)
InChIKeyFKYYWOVYCGQGCM-UHFFFAOYSA-N
MW267.72 g/mol
LogP1.09
Rot. Bonds2

About 4-chloro-N-(1-methyl-6-oxopiperidin-3-yl)pyridine-3-carboxamide

4-chloro-N-(1-methyl-6-oxopiperidin-3-yl)pyridine-3-carboxamide (PubChem CID 81232502) has the molecular formula C12H14ClN3O2 and a molecular weight of 267.72 g/mol. Its IUPAC name is 4-chloro-N-(1-methyl-6-oxopiperidin-3-yl)pyridine-3-carboxamide.

Molecular Properties

Compound Name4-chloro-N-(1-methyl-6-oxopiperidin-3-yl)pyridine-3-carboxamide
PubChem CID81232502
Molecular FormulaC12H14ClN3O2
Molecular Weight267.72 g/mol
Exact Mass267.08
IUPAC Name4-chloro-N-(1-methyl-6-oxopiperidin-3-yl)pyridine-3-carboxamide
SMILESCN1CC(NC(=O)c2cnccc2Cl)CCC1=O
InChIInChI=1S/C12H14ClN3O2/c1-16-7-8(2-3-11(16)17)15-12(18)9-6-14-5-4-10(9)13/h4-6,8H,2-3,7H2,1H3,(H,15,18)
InChIKeyFKYYWOVYCGQGCM-UHFFFAOYSA-N
XLogP1.09
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.72
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-2,4-dichloro-N-[(3S)-1-methyl-6-oxopiperidin-3-yl]benzamide
CID 100756034
3-amino-2-chloro-N-(1-methyl-6-oxopiperidin-3-yl)benzamide
CID 112575976
5-bromo-2-chloro-N-(1-methyl-6-oxopiperidin-3-yl)pyridine-3-carboxamide
CID 64670012
2-bromo-4-chloro-N-(1-methyl-6-oxopiperidin-3-yl)benzamide
CID 103765334
4-chloro-N-(1-methyl-6-oxopiperidin-3-yl)pyridine-2-carboxamide
CID 64669402
5,6-dichloro-N-(1-methyl-6-oxopiperidin-3-yl)pyridine-3-carboxamide
CID 64670220
2-amino-N-(1-methyl-6-oxopiperidin-3-yl)benzamide
CID 64655074
6-chloro-N-(1-methyl-6-oxopiperidin-3-yl)pyridazine-3-carboxamide
CID 64669604
2-chloro-N-(1-methyl-6-oxopiperidin-3-yl)-5-nitropyridine-4-carboxamide
CID 103733913
N-[(3S)-1-methyl-6-oxopiperidin-3-yl]-1H-imidazole-5-carboxamide
CID 125130512
5-amino-2-methyl-N-(1-methyl-6-oxopiperidin-3-yl)benzamide
CID 64655482
4-chloro-N-(oxetan-3-yl)pyridine-3-carboxamide
CID 81232941

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(1-methyl-6-oxopiperidin-3-yl)pyridine-3-carboxamide?
The IUPAC name of 4-chloro-N-(1-methyl-6-oxopiperidin-3-yl)pyridine-3-carboxamide (CID 81232502) is 4-chloro-N-(1-methyl-6-oxopiperidin-3-yl)pyridine-3-carboxamide.
What is the SMILES notation for 4-chloro-N-(1-methyl-6-oxopiperidin-3-yl)pyridine-3-carboxamide?
The canonical SMILES for 4-chloro-N-(1-methyl-6-oxopiperidin-3-yl)pyridine-3-carboxamide is CN1CC(NC(=O)c2cnccc2Cl)CCC1=O.
What is the InChIKey of 4-chloro-N-(1-methyl-6-oxopiperidin-3-yl)pyridine-3-carboxamide?
The InChIKey is FKYYWOVYCGQGCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClN3O2/c1-16-7-8(2-3-11(16)17)15-12(18)9-6-14-5-4-10(9)13/h4-6,8H,2-3,7H2,1H3,(H,15,18).
What are the key properties of 4-chloro-N-(1-methyl-6-oxopiperidin-3-yl)pyridine-3-carboxamide?
4-chloro-N-(1-methyl-6-oxopiperidin-3-yl)pyridine-3-carboxamide has a molecular weight of 267.72 g/mol, XLogP of 1.09, 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-methyl-6-oxopiperidin-3-yl)pyridine-3-carboxamide is sourced from PubChem (CID 81232502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).