8-methyl-4-oxo-N'-(2,4,6-trichlorophenyl)pyrido[1,2-a]pyrimidine-3-carbohydrazide

C16H11Cl3N4O2 — CID 60548231

IUPAC8-methyl-4-oxo-N'-(2,4,6-trichlorophenyl)pyrido[1,2-a]pyrimidine-3-carbohydrazide
SMILESCc1ccn2c(=O)c(C(=O)NNc3c(Cl)cc(Cl)cc3Cl)cnc2c1
InChIInChI=1S/C16H11Cl3N4O2/c1-8-2-3-23-13(4-8)20-7-10(16(23)25)15(24)22-21-14-11(18)5-9(17)6-12(14)19/h2-7,21H,1H3,(H,22,24)
InChIKeyOZZMLFNPEWLXBT-UHFFFAOYSA-N
MW397.65 g/mol
LogP3.72
Rot. Bonds3

About 8-methyl-4-oxo-N'-(2,4,6-trichlorophenyl)pyrido[1,2-a]pyrimidine-3-carbohydrazide

8-methyl-4-oxo-N'-(2,4,6-trichlorophenyl)pyrido[1,2-a]pyrimidine-3-carbohydrazide (PubChem CID 60548231) has the molecular formula C16H11Cl3N4O2 and a molecular weight of 397.65 g/mol. Its IUPAC name is 8-methyl-4-oxo-N'-(2,4,6-trichlorophenyl)pyrido[1,2-a]pyrimidine-3-carbohydrazide.

Molecular Properties

Compound Name8-methyl-4-oxo-N'-(2,4,6-trichlorophenyl)pyrido[1,2-a]pyrimidine-3-carbohydrazide
PubChem CID60548231
Molecular FormulaC16H11Cl3N4O2
Molecular Weight397.65 g/mol
Exact Mass395.99
IUPAC Name8-methyl-4-oxo-N'-(2,4,6-trichlorophenyl)pyrido[1,2-a]pyrimidine-3-carbohydrazide
SMILESCc1ccn2c(=O)c(C(=O)NNc3c(Cl)cc(Cl)cc3Cl)cnc2c1
InChIInChI=1S/C16H11Cl3N4O2/c1-8-2-3-23-13(4-8)20-7-10(16(23)25)15(24)22-21-14-11(18)5-9(17)6-12(14)19/h2-7,21H,1H3,(H,22,24)
InChIKeyOZZMLFNPEWLXBT-UHFFFAOYSA-N
XLogP3.72
TPSA75.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.65
LogP ≤ 53.72
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

8-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxylic acid
CID 2800874
N-[3-chloro-2-(dimethylamino)phenyl]-8-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 60558088
8-methyl-N-[3-(methylamino)propyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 119430115
N-[2-(ethylamino)ethyl]-8-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide;hydrochloride
CID 119505266
N-[5-chloro-2-(4-methylphenoxy)phenyl]-8-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 60551038
N-[(1-hydroxycyclobutyl)methyl]-8-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 111445372
N-[(2S)-1-methoxypropan-2-yl]-8-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 95132933
8-methyl-N-[2-(methylamino)propyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide;hydrochloride
CID 120829490
N-(4-ethoxyphenyl)-8-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 4151354
8-methyl-4-oxo-N-[3-(trifluoromethyl)phenyl]pyrido[1,2-a]pyrimidine-3-carboxamide
CID 4151352
N-(2,5-dimethoxyphenyl)-8-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 20878698
3-[(8-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carbonyl)-propan-2-ylamino]propanoic acid
CID 119207034

Frequently Asked Questions

What is the IUPAC name of 8-methyl-4-oxo-N'-(2,4,6-trichlorophenyl)pyrido[1,2-a]pyrimidine-3-carbohydrazide?
The IUPAC name of 8-methyl-4-oxo-N'-(2,4,6-trichlorophenyl)pyrido[1,2-a]pyrimidine-3-carbohydrazide (CID 60548231) is 8-methyl-4-oxo-N'-(2,4,6-trichlorophenyl)pyrido[1,2-a]pyrimidine-3-carbohydrazide.
What is the SMILES notation for 8-methyl-4-oxo-N'-(2,4,6-trichlorophenyl)pyrido[1,2-a]pyrimidine-3-carbohydrazide?
The canonical SMILES for 8-methyl-4-oxo-N'-(2,4,6-trichlorophenyl)pyrido[1,2-a]pyrimidine-3-carbohydrazide is Cc1ccn2c(=O)c(C(=O)NNc3c(Cl)cc(Cl)cc3Cl)cnc2c1.
What is the InChIKey of 8-methyl-4-oxo-N'-(2,4,6-trichlorophenyl)pyrido[1,2-a]pyrimidine-3-carbohydrazide?
The InChIKey is OZZMLFNPEWLXBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11Cl3N4O2/c1-8-2-3-23-13(4-8)20-7-10(16(23)25)15(24)22-21-14-11(18)5-9(17)6-12(14)19/h2-7,21H,1H3,(H,22,24).
What are the key properties of 8-methyl-4-oxo-N'-(2,4,6-trichlorophenyl)pyrido[1,2-a]pyrimidine-3-carbohydrazide?
8-methyl-4-oxo-N'-(2,4,6-trichlorophenyl)pyrido[1,2-a]pyrimidine-3-carbohydrazide has a molecular weight of 397.65 g/mol, XLogP of 3.72, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-4-oxo-N'-(2,4,6-trichlorophenyl)pyrido[1,2-a]pyrimidine-3-carbohydrazide is sourced from PubChem (CID 60548231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).