N'-(5-chloro-2-pyridinyl)-N-(2-oxopiperidin-4-yl)oxamide

C12H13ClN4O3 — CID 142691809

IUPACN'-(5-chloro-2-pyridinyl)-N-(2-oxopiperidin-4-yl)oxamide
SMILESO=C1CC(NC(=O)C(=O)Nc2ccc(Cl)cn2)CCN1
InChIInChI=1S/C12H13ClN4O3/c13-7-1-2-9(15-6-7)17-12(20)11(19)16-8-3-4-14-10(18)5-8/h1-2,6,8H,3-5H2,(H,14,18)(H,16,19)(H,15,17,20)
InChIKeyOLSZPWXIHXLXKP-UHFFFAOYSA-N
MW296.71 g/mol
LogP0.07
Rot. Bonds2

About N'-(5-chloro-2-pyridinyl)-N-(2-oxopiperidin-4-yl)oxamide

N'-(5-chloro-2-pyridinyl)-N-(2-oxopiperidin-4-yl)oxamide (PubChem CID 142691809) has the molecular formula C12H13ClN4O3 and a molecular weight of 296.71 g/mol. Its IUPAC name is N'-(5-chloro-2-pyridinyl)-N-(2-oxopiperidin-4-yl)oxamide.

Molecular Properties

Compound NameN'-(5-chloro-2-pyridinyl)-N-(2-oxopiperidin-4-yl)oxamide
PubChem CID142691809
Molecular FormulaC12H13ClN4O3
Molecular Weight296.71 g/mol
Exact Mass296.07
IUPAC NameN'-(5-chloro-2-pyridinyl)-N-(2-oxopiperidin-4-yl)oxamide
SMILESO=C1CC(NC(=O)C(=O)Nc2ccc(Cl)cn2)CCN1
InChIInChI=1S/C12H13ClN4O3/c13-7-1-2-9(15-6-7)17-12(20)11(19)16-8-3-4-14-10(18)5-8/h1-2,6,8H,3-5H2,(H,14,18)(H,16,19)(H,15,17,20)
InChIKeyOLSZPWXIHXLXKP-UHFFFAOYSA-N
XLogP0.07
TPSA100.19 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.71
LogP ≤ 50.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

N'-(5-chloro-2-pyridinyl)-N-(1-cyclopropylpiperidin-4-yl)oxamide
CID 142691779
N-(1-benzoylpiperidin-4-yl)-N'-(5-chloro-2-pyridinyl)oxamide
CID 142691795
2-[(5-chloro-2-pyridinyl)amino]-2-oxoacetyl chloride
CID 152602540
(2S)-N-(5-chloro-2-pyridinyl)pyrrolidine-2-carboxamide
CID 24749623
N'-(5-chloro-2-pyridinyl)oxamide;hydrochloride
CID 22934756
5-chloro-N-cyclobutylpyridin-2-amine
CID 62414394
(4R)-N-(5-chloro-2-pyridinyl)-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
CID 33328669
N-(5-chloro-2-pyridinyl)-4-methylpiperidine-2-carboxamide
CID 114422738
N-[(4S)-2-oxoazepan-4-yl]pyridine-3-carboxamide
CID 18648131
2-methyl-N-(2-oxopiperidin-4-yl)propanamide
CID 112534578
N-(5-chloro-2-pyridinyl)-3-(pyrrolidin-3-ylcarbamoylamino)benzamide
CID 166338346
N-(5-chloro-2-pyridinyl)-2,3-dihydro-1H-indole-2-carboxamide
CID 76892365

Frequently Asked Questions

What is the IUPAC name of N'-(5-chloro-2-pyridinyl)-N-(2-oxopiperidin-4-yl)oxamide?
The IUPAC name of N'-(5-chloro-2-pyridinyl)-N-(2-oxopiperidin-4-yl)oxamide (CID 142691809) is N'-(5-chloro-2-pyridinyl)-N-(2-oxopiperidin-4-yl)oxamide.
What is the SMILES notation for N'-(5-chloro-2-pyridinyl)-N-(2-oxopiperidin-4-yl)oxamide?
The canonical SMILES for N'-(5-chloro-2-pyridinyl)-N-(2-oxopiperidin-4-yl)oxamide is O=C1CC(NC(=O)C(=O)Nc2ccc(Cl)cn2)CCN1.
What is the InChIKey of N'-(5-chloro-2-pyridinyl)-N-(2-oxopiperidin-4-yl)oxamide?
The InChIKey is OLSZPWXIHXLXKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN4O3/c13-7-1-2-9(15-6-7)17-12(20)11(19)16-8-3-4-14-10(18)5-8/h1-2,6,8H,3-5H2,(H,14,18)(H,16,19)(H,15,17,20).
What are the key properties of N'-(5-chloro-2-pyridinyl)-N-(2-oxopiperidin-4-yl)oxamide?
N'-(5-chloro-2-pyridinyl)-N-(2-oxopiperidin-4-yl)oxamide has a molecular weight of 296.71 g/mol, XLogP of 0.07, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(5-chloro-2-pyridinyl)-N-(2-oxopiperidin-4-yl)oxamide is sourced from PubChem (CID 142691809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).