N'-(2-chlorobenzoyl)-4-oxopyrido[1,2-a]pyrimidine-3-carbohydrazide

C16H11ClN4O3 — CID 24627032

IUPACN'-(2-chlorobenzoyl)-4-oxopyrido[1,2-a]pyrimidine-3-carbohydrazide
SMILESO=C(NNC(=O)c1cnc2ccccn2c1=O)c1ccccc1Cl
InChIInChI=1S/C16H11ClN4O3/c17-12-6-2-1-5-10(12)14(22)19-20-15(23)11-9-18-13-7-3-4-8-21(13)16(11)24/h1-9H,(H,19,22)(H,20,23)
InChIKeyKFEOPIZTXUGFJY-UHFFFAOYSA-N
MW342.74 g/mol
LogP1.42
Rot. Bonds2

About N'-(2-chlorobenzoyl)-4-oxopyrido[1,2-a]pyrimidine-3-carbohydrazide

N'-(2-chlorobenzoyl)-4-oxopyrido[1,2-a]pyrimidine-3-carbohydrazide (PubChem CID 24627032) has the molecular formula C16H11ClN4O3 and a molecular weight of 342.74 g/mol. Its IUPAC name is N'-(2-chlorobenzoyl)-4-oxopyrido[1,2-a]pyrimidine-3-carbohydrazide.

Molecular Properties

Compound NameN'-(2-chlorobenzoyl)-4-oxopyrido[1,2-a]pyrimidine-3-carbohydrazide
PubChem CID24627032
Molecular FormulaC16H11ClN4O3
Molecular Weight342.74 g/mol
Exact Mass342.05
IUPAC NameN'-(2-chlorobenzoyl)-4-oxopyrido[1,2-a]pyrimidine-3-carbohydrazide
SMILESO=C(NNC(=O)c1cnc2ccccn2c1=O)c1ccccc1Cl
InChIInChI=1S/C16H11ClN4O3/c17-12-6-2-1-5-10(12)14(22)19-20-15(23)11-9-18-13-7-3-4-8-21(13)16(11)24/h1-9H,(H,19,22)(H,20,23)
InChIKeyKFEOPIZTXUGFJY-UHFFFAOYSA-N
XLogP1.42
TPSA92.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.74
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(2-chlorophenyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 4572245
N-[(2-chlorophenyl)methyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 3396388
N-(3,4-dichlorophenyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 51329791
N-(4-amino-3,5-dichlorophenyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 16621733
N-[(2-chloro-6-fluorophenyl)methyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 131889223
N-[4-[(2-chlorophenyl)methoxy]phenyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 60552604
4-oxopyrido[1,2-a]pyrimidine-3-carboxylic acid;hydrochloride
CID 56684110
N-(4-chloro-2-fluorophenyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 24672239
N-(2,6-dimethylphenyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 4575304
N-cyclohexyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 16620977
N-[1-(2,4-dichlorophenyl)ethyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 17459377
N-[2-(4-chlorophenyl)-2-hydroxyethyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 110885527

Frequently Asked Questions

What is the IUPAC name of N'-(2-chlorobenzoyl)-4-oxopyrido[1,2-a]pyrimidine-3-carbohydrazide?
The IUPAC name of N'-(2-chlorobenzoyl)-4-oxopyrido[1,2-a]pyrimidine-3-carbohydrazide (CID 24627032) is N'-(2-chlorobenzoyl)-4-oxopyrido[1,2-a]pyrimidine-3-carbohydrazide.
What is the SMILES notation for N'-(2-chlorobenzoyl)-4-oxopyrido[1,2-a]pyrimidine-3-carbohydrazide?
The canonical SMILES for N'-(2-chlorobenzoyl)-4-oxopyrido[1,2-a]pyrimidine-3-carbohydrazide is O=C(NNC(=O)c1cnc2ccccn2c1=O)c1ccccc1Cl.
What is the InChIKey of N'-(2-chlorobenzoyl)-4-oxopyrido[1,2-a]pyrimidine-3-carbohydrazide?
The InChIKey is KFEOPIZTXUGFJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11ClN4O3/c17-12-6-2-1-5-10(12)14(22)19-20-15(23)11-9-18-13-7-3-4-8-21(13)16(11)24/h1-9H,(H,19,22)(H,20,23).
What are the key properties of N'-(2-chlorobenzoyl)-4-oxopyrido[1,2-a]pyrimidine-3-carbohydrazide?
N'-(2-chlorobenzoyl)-4-oxopyrido[1,2-a]pyrimidine-3-carbohydrazide has a molecular weight of 342.74 g/mol, XLogP of 1.42, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-chlorobenzoyl)-4-oxopyrido[1,2-a]pyrimidine-3-carbohydrazide is sourced from PubChem (CID 24627032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).