N-[(3,4-dichlorophenyl)methyl]-3-hydroxy-4-oxo-9-phenyl-6,7-dihydropyrido[1,2-a]pyrimidine-2-carboxamide

C22H17Cl2N3O3 — CID 54683246

IUPACN-[(3,4-dichlorophenyl)methyl]-3-hydroxy-4-oxo-9-phenyl-6,7-dihydropyrido[1,2-a]pyrimidine-2-carboxamide
SMILESO=C(NCc1ccc(Cl)c(Cl)c1)c1nc2n(c(=O)c1O)CCC=C2c1ccccc1
InChIInChI=1S/C22H17Cl2N3O3/c23-16-9-8-13(11-17(16)24)12-25-21(29)18-19(28)22(30)27-10-4-7-15(20(27)26-18)14-5-2-1-3-6-14/h1-3,5-9,11,28H,4,10,12H2,(H,25,29)
InChIKeyVYYZDKBFZGKRHW-UHFFFAOYSA-N
MW442.30 g/mol
LogP4.02
Rot. Bonds4

About N-[(3,4-dichlorophenyl)methyl]-3-hydroxy-4-oxo-9-phenyl-6,7-dihydropyrido[1,2-a]pyrimidine-2-carboxamide

N-[(3,4-dichlorophenyl)methyl]-3-hydroxy-4-oxo-9-phenyl-6,7-dihydropyrido[1,2-a]pyrimidine-2-carboxamide (PubChem CID 54683246) has the molecular formula C22H17Cl2N3O3 and a molecular weight of 442.30 g/mol. Its IUPAC name is N-[(3,4-dichlorophenyl)methyl]-3-hydroxy-4-oxo-9-phenyl-6,7-dihydropyrido[1,2-a]pyrimidine-2-carboxamide.

Molecular Properties

Compound NameN-[(3,4-dichlorophenyl)methyl]-3-hydroxy-4-oxo-9-phenyl-6,7-dihydropyrido[1,2-a]pyrimidine-2-carboxamide
PubChem CID54683246
Molecular FormulaC22H17Cl2N3O3
Molecular Weight442.30 g/mol
Exact Mass441.06
IUPAC NameN-[(3,4-dichlorophenyl)methyl]-3-hydroxy-4-oxo-9-phenyl-6,7-dihydropyrido[1,2-a]pyrimidine-2-carboxamide
SMILESO=C(NCc1ccc(Cl)c(Cl)c1)c1nc2n(c(=O)c1O)CCC=C2c1ccccc1
InChIInChI=1S/C22H17Cl2N3O3/c23-16-9-8-13(11-17(16)24)12-25-21(29)18-19(28)22(30)27-10-4-7-15(20(27)26-18)14-5-2-1-3-6-14/h1-3,5-9,11,28H,4,10,12H2,(H,25,29)
InChIKeyVYYZDKBFZGKRHW-UHFFFAOYSA-N
XLogP4.02
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.30
LogP ≤ 54.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(3,4-dichlorophenyl)methyl]-5-hydroxy-1-methyl-2-morpholin-4-yl-6-oxopyrimidine-4-carboxamide
CID 54682024
N-[(3,4-dichlorophenyl)methyl]-3-hydroxy-10-[2-(4-methylpiperazin-1-yl)ethyl]-4-oxopyrimido[1,2-a]benzimidazole-2-carboxamide
CID 58101160
N-[(3,4-dichlorophenyl)methyl]-3-phenyl-1H-pyrazole-5-carboxamide
CID 118716752
N-[(3,4-dichlorophenyl)methyl]-6-hydroxy-5-oxo-2-(pyrrolidin-1-ylmethyl)-[1,3]thiazolo[3,2-a]pyrimidine-7-carboxamide
CID 59392900
N-[(3,4-dichlorophenyl)methyl]-3-hydroxy-10-(2-methoxyethyl)-4-oxopyrimido[1,2-a]benzimidazole-2-carboxamide
CID 58101175
N-[(3,4-dichlorophenyl)methyl]-3-hydroxy-10-methyl-4-oxo-8,9-dihydropyrimido[1,2-a]benzimidazole-2-carboxamide
CID 143705027
N-[(3,4-dichlorophenyl)methyl]-6-hydroxy-3-(iminomethylidene)-7-oxopyrazolo[1,5-a]pyrimidine-5-carboxamide
CID 176542639
N'-[2-[(3-chloro-4-methylphenyl)methylcarbamoyl]-3-hydroxy-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-9-yl]-N,N,N'-trimethyloxamide
CID 59771064
N-[(3-chloro-4-methylphenyl)methyl]-2-[2-(1,1-dioxothiazinan-2-yl)phenyl]-5-hydroxy-1-methyl-6-oxopyrimidine-4-carboxamide
CID 54691445
N-[(3,4-dimethylphenyl)methyl]-5-hydroxy-1-methyl-6-oxo-2-pyridin-3-ylpyrimidine-4-carboxamide
CID 54679012
7-[(3-chloro-2-fluorophenyl)methyl]-N-[(3,4-dichlorophenyl)methyl]-3-hydroxy-4-oxopyrido[1,2-a]pyrimidine-2-carboxamide
CID 59392912
N-[(3-chloro-4-methylphenyl)methyl]-5-hydroxy-2-(2-methylphenyl)-6-oxo-1H-pyrimidine-4-carboxamide
CID 135601952

Frequently Asked Questions

What is the IUPAC name of N-[(3,4-dichlorophenyl)methyl]-3-hydroxy-4-oxo-9-phenyl-6,7-dihydropyrido[1,2-a]pyrimidine-2-carboxamide?
The IUPAC name of N-[(3,4-dichlorophenyl)methyl]-3-hydroxy-4-oxo-9-phenyl-6,7-dihydropyrido[1,2-a]pyrimidine-2-carboxamide (CID 54683246) is N-[(3,4-dichlorophenyl)methyl]-3-hydroxy-4-oxo-9-phenyl-6,7-dihydropyrido[1,2-a]pyrimidine-2-carboxamide.
What is the SMILES notation for N-[(3,4-dichlorophenyl)methyl]-3-hydroxy-4-oxo-9-phenyl-6,7-dihydropyrido[1,2-a]pyrimidine-2-carboxamide?
The canonical SMILES for N-[(3,4-dichlorophenyl)methyl]-3-hydroxy-4-oxo-9-phenyl-6,7-dihydropyrido[1,2-a]pyrimidine-2-carboxamide is O=C(NCc1ccc(Cl)c(Cl)c1)c1nc2n(c(=O)c1O)CCC=C2c1ccccc1.
What is the InChIKey of N-[(3,4-dichlorophenyl)methyl]-3-hydroxy-4-oxo-9-phenyl-6,7-dihydropyrido[1,2-a]pyrimidine-2-carboxamide?
The InChIKey is VYYZDKBFZGKRHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17Cl2N3O3/c23-16-9-8-13(11-17(16)24)12-25-21(29)18-19(28)22(30)27-10-4-7-15(20(27)26-18)14-5-2-1-3-6-14/h1-3,5-9,11,28H,4,10,12H2,(H,25,29).
What are the key properties of N-[(3,4-dichlorophenyl)methyl]-3-hydroxy-4-oxo-9-phenyl-6,7-dihydropyrido[1,2-a]pyrimidine-2-carboxamide?
N-[(3,4-dichlorophenyl)methyl]-3-hydroxy-4-oxo-9-phenyl-6,7-dihydropyrido[1,2-a]pyrimidine-2-carboxamide has a molecular weight of 442.30 g/mol, XLogP of 4.02, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-dichlorophenyl)methyl]-3-hydroxy-4-oxo-9-phenyl-6,7-dihydropyrido[1,2-a]pyrimidine-2-carboxamide is sourced from PubChem (CID 54683246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).