N-(4-chlorophenyl)-3-methoxy-4-methyl-6-(4-nitrophenyl)-2-oxo-1,6-dihydropyrimidine-5-carboxamide

C19H17ClN4O5 — CID 132561966

IUPACN-(4-chlorophenyl)-3-methoxy-4-methyl-6-(4-nitrophenyl)-2-oxo-1,6-dihydropyrimidine-5-carboxamide
SMILESCON1C(=O)NC(c2ccc([N+](=O)[O-])cc2)C(C(=O)Nc2ccc(Cl)cc2)=C1C
InChIInChI=1S/C19H17ClN4O5/c1-11-16(18(25)21-14-7-5-13(20)6-8-14)17(22-19(26)23(11)29-2)12-3-9-15(10-4-12)24(27)28/h3-10,17H,1-2H3,(H,21,25)(H,22,26)
InChIKeyPBDIHUMXSUHFOQ-UHFFFAOYSA-N
MW416.82 g/mol
LogP3.79
Rot. Bonds5

About N-(4-chlorophenyl)-3-methoxy-4-methyl-6-(4-nitrophenyl)-2-oxo-1,6-dihydropyrimidine-5-carboxamide

N-(4-chlorophenyl)-3-methoxy-4-methyl-6-(4-nitrophenyl)-2-oxo-1,6-dihydropyrimidine-5-carboxamide (PubChem CID 132561966) has the molecular formula C19H17ClN4O5 and a molecular weight of 416.82 g/mol. Its IUPAC name is N-(4-chlorophenyl)-3-methoxy-4-methyl-6-(4-nitrophenyl)-2-oxo-1,6-dihydropyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-3-methoxy-4-methyl-6-(4-nitrophenyl)-2-oxo-1,6-dihydropyrimidine-5-carboxamide
PubChem CID132561966
Molecular FormulaC19H17ClN4O5
Molecular Weight416.82 g/mol
Exact Mass416.09
IUPAC NameN-(4-chlorophenyl)-3-methoxy-4-methyl-6-(4-nitrophenyl)-2-oxo-1,6-dihydropyrimidine-5-carboxamide
SMILESCON1C(=O)NC(c2ccc([N+](=O)[O-])cc2)C(C(=O)Nc2ccc(Cl)cc2)=C1C
InChIInChI=1S/C19H17ClN4O5/c1-11-16(18(25)21-14-7-5-13(20)6-8-14)17(22-19(26)23(11)29-2)12-3-9-15(10-4-12)24(27)28/h3-10,17H,1-2H3,(H,21,25)(H,22,26)
InChIKeyPBDIHUMXSUHFOQ-UHFFFAOYSA-N
XLogP3.79
TPSA113.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.82
LogP ≤ 53.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

6-(4-bromophenyl)-N-(4-chlorophenyl)-3-methoxy-4-methyl-2-oxo-1,6-dihydropyrimidine-5-carboxamide
CID 132561965
6-(2-chlorophenyl)-N-(4-chlorophenyl)-3-methoxy-4-methyl-2-oxo-1,6-dihydropyrimidine-5-carboxamide
CID 132561964
(4R)-4-(4-fluorophenyl)-6-methyl-N-(4-nitrophenyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide
CID 7800354
6-(4-chlorophenyl)-3,4-dimethyl-N-(3-nitrophenyl)-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxamide
CID 18278466
N-(3,4-difluorophenyl)-6-methyl-4-(4-nitrophenyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide
CID 2908912
(4R)-4-(4-chlorophenyl)-6-methyl-N-(3-nitrophenyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide
CID 7721784
(4S)-6-methyl-4-(4-morpholin-4-ylphenyl)-N-(4-nitrophenyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide
CID 41072874
(7R)-N-(4-chlorophenyl)-2,5-dimethyl-7-(4-nitrophenyl)-4,7-dihydropyrazolo[1,5-a]pyrimidine-6-carboxamide
CID 136798128
(4R)-N-(5-chloro-2-methylphenyl)-6-methyl-4-(4-nitrophenyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide
CID 40572815
(6S)-N-(3,4-difluorophenyl)-3,4-dimethyl-6-(3-nitrophenyl)-2-oxo-1,6-dihydropyrimidine-5-carboxamide
CID 9449450
(4R)-N-(4-chlorophenyl)-2-methyl-4-(4-nitrophenyl)-1,4-dihydropyrimido[1,2-a]benzimidazole-3-carboxamide
CID 92698710
(4S)-4-(4-chlorophenyl)-6-methyl-N-(4-methylphenyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide
CID 1014349

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-3-methoxy-4-methyl-6-(4-nitrophenyl)-2-oxo-1,6-dihydropyrimidine-5-carboxamide?
The IUPAC name of N-(4-chlorophenyl)-3-methoxy-4-methyl-6-(4-nitrophenyl)-2-oxo-1,6-dihydropyrimidine-5-carboxamide (CID 132561966) is N-(4-chlorophenyl)-3-methoxy-4-methyl-6-(4-nitrophenyl)-2-oxo-1,6-dihydropyrimidine-5-carboxamide.
What is the SMILES notation for N-(4-chlorophenyl)-3-methoxy-4-methyl-6-(4-nitrophenyl)-2-oxo-1,6-dihydropyrimidine-5-carboxamide?
The canonical SMILES for N-(4-chlorophenyl)-3-methoxy-4-methyl-6-(4-nitrophenyl)-2-oxo-1,6-dihydropyrimidine-5-carboxamide is CON1C(=O)NC(c2ccc([N+](=O)[O-])cc2)C(C(=O)Nc2ccc(Cl)cc2)=C1C.
What is the InChIKey of N-(4-chlorophenyl)-3-methoxy-4-methyl-6-(4-nitrophenyl)-2-oxo-1,6-dihydropyrimidine-5-carboxamide?
The InChIKey is PBDIHUMXSUHFOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClN4O5/c1-11-16(18(25)21-14-7-5-13(20)6-8-14)17(22-19(26)23(11)29-2)12-3-9-15(10-4-12)24(27)28/h3-10,17H,1-2H3,(H,21,25)(H,22,26).
What are the key properties of N-(4-chlorophenyl)-3-methoxy-4-methyl-6-(4-nitrophenyl)-2-oxo-1,6-dihydropyrimidine-5-carboxamide?
N-(4-chlorophenyl)-3-methoxy-4-methyl-6-(4-nitrophenyl)-2-oxo-1,6-dihydropyrimidine-5-carboxamide has a molecular weight of 416.82 g/mol, XLogP of 3.79, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-3-methoxy-4-methyl-6-(4-nitrophenyl)-2-oxo-1,6-dihydropyrimidine-5-carboxamide is sourced from PubChem (CID 132561966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).