N'-[4-chloro-2-(2-oxopyrrolidin-1-yl)benzoyl]pyridine-3-carbohydrazide

C17H15ClN4O3 — CID 36841106

IUPACN'-[4-chloro-2-(2-oxopyrrolidin-1-yl)benzoyl]pyridine-3-carbohydrazide
SMILESO=C(NNC(=O)c1ccc(Cl)cc1N1CCCC1=O)c1cccnc1
InChIInChI=1S/C17H15ClN4O3/c18-12-5-6-13(14(9-12)22-8-2-4-15(22)23)17(25)21-20-16(24)11-3-1-7-19-10-11/h1,3,5-7,9-10H,2,4,8H2,(H,20,24)(H,21,25)
InChIKeyJXIFSGOICPPACK-UHFFFAOYSA-N
MW358.79 g/mol
LogP1.94
Rot. Bonds3

About N'-[4-chloro-2-(2-oxopyrrolidin-1-yl)benzoyl]pyridine-3-carbohydrazide

N'-[4-chloro-2-(2-oxopyrrolidin-1-yl)benzoyl]pyridine-3-carbohydrazide (PubChem CID 36841106) has the molecular formula C17H15ClN4O3 and a molecular weight of 358.79 g/mol. Its IUPAC name is N'-[4-chloro-2-(2-oxopyrrolidin-1-yl)benzoyl]pyridine-3-carbohydrazide.

Molecular Properties

Compound NameN'-[4-chloro-2-(2-oxopyrrolidin-1-yl)benzoyl]pyridine-3-carbohydrazide
PubChem CID36841106
Molecular FormulaC17H15ClN4O3
Molecular Weight358.79 g/mol
Exact Mass358.08
IUPAC NameN'-[4-chloro-2-(2-oxopyrrolidin-1-yl)benzoyl]pyridine-3-carbohydrazide
SMILESO=C(NNC(=O)c1ccc(Cl)cc1N1CCCC1=O)c1cccnc1
InChIInChI=1S/C17H15ClN4O3/c18-12-5-6-13(14(9-12)22-8-2-4-15(22)23)17(25)21-20-16(24)11-3-1-7-19-10-11/h1,3,5-7,9-10H,2,4,8H2,(H,20,24)(H,21,25)
InChIKeyJXIFSGOICPPACK-UHFFFAOYSA-N
XLogP1.94
TPSA91.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.79
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N'-[4-chloro-2-(2-oxopyrrolidin-1-yl)benzoyl]furan-2-carbohydrazide
CID 9086885
N'-[4-chloro-2-(2-oxopyrrolidin-1-yl)benzoyl]-2,4-dimethylbenzohydrazide
CID 9084885
4-chloro-N-(3-methyl-4-pyridin-3-yloxyphenyl)-2-(2-oxopyrrolidin-1-yl)benzamide
CID 60581284
N'-[4-chloro-2-(2-oxopyrrolidin-1-yl)benzoyl]-2,5-dimethyl-1-phenylpyrrole-3-carbohydrazide
CID 36846071
N'-(4-chloro-2-iodobenzoyl)pyridine-3-carbohydrazide
CID 39716932
4-chloro-2-(2-oxopyrrolidin-1-yl)-N-piperidin-1-ylbenzamide
CID 9083960
4-chloro-2-(2-oxopyrrolidin-1-yl)-N-(1,3,4-thiadiazol-2-yl)benzamide
CID 29371044
N'-[4-chloro-2-(2-oxopyrrolidin-1-yl)benzoyl]-5-ethyl-4-methylthiophene-2-carbohydrazide
CID 9091448
1-[[4-chloro-2-(2-oxopyrrolidin-1-yl)benzoyl]amino]-3-pentylthiourea
CID 9093295
N-[4-methoxy-3-(2-oxopyrrolidin-1-yl)phenyl]pyridine-3-carboxamide
CID 35390097
4-chloro-N-[[2-(methoxymethyl)phenyl]methyl]-2-(2-oxopyrrolidin-1-yl)benzamide
CID 32606773
4-chloro-N-[[(2S)-oxolan-2-yl]methyl]-2-(2-oxopyrrolidin-1-yl)benzamide
CID 34751134

Frequently Asked Questions

What is the IUPAC name of N'-[4-chloro-2-(2-oxopyrrolidin-1-yl)benzoyl]pyridine-3-carbohydrazide?
The IUPAC name of N'-[4-chloro-2-(2-oxopyrrolidin-1-yl)benzoyl]pyridine-3-carbohydrazide (CID 36841106) is N'-[4-chloro-2-(2-oxopyrrolidin-1-yl)benzoyl]pyridine-3-carbohydrazide.
What is the SMILES notation for N'-[4-chloro-2-(2-oxopyrrolidin-1-yl)benzoyl]pyridine-3-carbohydrazide?
The canonical SMILES for N'-[4-chloro-2-(2-oxopyrrolidin-1-yl)benzoyl]pyridine-3-carbohydrazide is O=C(NNC(=O)c1ccc(Cl)cc1N1CCCC1=O)c1cccnc1.
What is the InChIKey of N'-[4-chloro-2-(2-oxopyrrolidin-1-yl)benzoyl]pyridine-3-carbohydrazide?
The InChIKey is JXIFSGOICPPACK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN4O3/c18-12-5-6-13(14(9-12)22-8-2-4-15(22)23)17(25)21-20-16(24)11-3-1-7-19-10-11/h1,3,5-7,9-10H,2,4,8H2,(H,20,24)(H,21,25).
What are the key properties of N'-[4-chloro-2-(2-oxopyrrolidin-1-yl)benzoyl]pyridine-3-carbohydrazide?
N'-[4-chloro-2-(2-oxopyrrolidin-1-yl)benzoyl]pyridine-3-carbohydrazide has a molecular weight of 358.79 g/mol, XLogP of 1.94, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[4-chloro-2-(2-oxopyrrolidin-1-yl)benzoyl]pyridine-3-carbohydrazide is sourced from PubChem (CID 36841106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).