(4R)-N-(5-chloro-2-methylphenyl)-6-methyl-4-naphthalen-1-yl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide

C23H20ClN3O2 — CID 7741658

IUPAC(4R)-N-(5-chloro-2-methylphenyl)-6-methyl-4-naphthalen-1-yl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide
SMILESCC1=C(C(=O)Nc2cc(Cl)ccc2C)[C@@H](c2cccc3ccccc23)NC(=O)N1
InChIInChI=1S/C23H20ClN3O2/c1-13-10-11-16(24)12-19(13)26-22(28)20-14(2)25-23(29)27-21(20)18-9-5-7-15-6-3-4-8-17(15)18/h3-12,21H,1-2H3,(H,26,28)(H2,25,27,29)/t21-/m1/s1
InChIKeyAZUKHMHSNRAKJM-OAQYLSRUSA-N
MW405.89 g/mol
LogP5.07
Rot. Bonds3

About (4R)-N-(5-chloro-2-methylphenyl)-6-methyl-4-naphthalen-1-yl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide

(4R)-N-(5-chloro-2-methylphenyl)-6-methyl-4-naphthalen-1-yl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide (PubChem CID 7741658) has the molecular formula C23H20ClN3O2 and a molecular weight of 405.89 g/mol. Its IUPAC name is (4R)-N-(5-chloro-2-methylphenyl)-6-methyl-4-naphthalen-1-yl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide.

Molecular Properties

Compound Name(4R)-N-(5-chloro-2-methylphenyl)-6-methyl-4-naphthalen-1-yl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide
PubChem CID7741658
Molecular FormulaC23H20ClN3O2
Molecular Weight405.89 g/mol
Exact Mass405.12
IUPAC Name(4R)-N-(5-chloro-2-methylphenyl)-6-methyl-4-naphthalen-1-yl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide
SMILESCC1=C(C(=O)Nc2cc(Cl)ccc2C)[C@@H](c2cccc3ccccc23)NC(=O)N1
InChIInChI=1S/C23H20ClN3O2/c1-13-10-11-16(24)12-19(13)26-22(28)20-14(2)25-23(29)27-21(20)18-9-5-7-15-6-3-4-8-17(15)18/h3-12,21H,1-2H3,(H,26,28)(H2,25,27,29)/t21-/m1/s1
InChIKeyAZUKHMHSNRAKJM-OAQYLSRUSA-N
XLogP5.07
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500405.89
LogP ≤ 55.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

N-(5-chloro-2-methylphenyl)-4-(2-fluorophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide
CID 2886748
(4S)-N-(5-chloro-2-methylphenyl)-4-(2,6-dichlorophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide
CID 1326217
(4R)-N-(5-chloro-2-methylphenyl)-4-(4-chlorophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide
CID 7430707
(4S)-N-(5-chloro-2-methylphenyl)-4-(4-chlorophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide
CID 7430706
(4S)-N-(2,5-dimethylphenyl)-6-methyl-4-naphthalen-1-yl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxamide
CID 7460603
(4R)-N-(5-chloro-2-methylphenyl)-6-methyl-4-(4-methylphenyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide
CID 7430701
(4R)-N-(5-chloro-2-methylphenyl)-6-methyl-2-oxo-4-thiophen-2-yl-3,4-dihydro-1H-pyrimidine-5-carboxamide
CID 1371378
(4S)-N-(5-chloro-2-methoxyphenyl)-4-(2-methoxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide
CID 1128004
4-(2,3-dimethoxyphenyl)-N-(2,5-dimethylphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide
CID 23904549
(4S)-N-(5-chloro-2-methylphenyl)-4-[4-(dimethylamino)phenyl]-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide
CID 7430711
(4S)-4-(2,4-dichlorophenyl)-N-(2,3-dimethylphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide
CID 989766
(4R)-4-(2,4-dichlorophenyl)-N-(2,3-dimethylphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide
CID 989765

Frequently Asked Questions

What is the IUPAC name of (4R)-N-(5-chloro-2-methylphenyl)-6-methyl-4-naphthalen-1-yl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide?
The IUPAC name of (4R)-N-(5-chloro-2-methylphenyl)-6-methyl-4-naphthalen-1-yl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide (CID 7741658) is (4R)-N-(5-chloro-2-methylphenyl)-6-methyl-4-naphthalen-1-yl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide.
What is the SMILES notation for (4R)-N-(5-chloro-2-methylphenyl)-6-methyl-4-naphthalen-1-yl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide?
The canonical SMILES for (4R)-N-(5-chloro-2-methylphenyl)-6-methyl-4-naphthalen-1-yl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide is CC1=C(C(=O)Nc2cc(Cl)ccc2C)[C@@H](c2cccc3ccccc23)NC(=O)N1.
What is the InChIKey of (4R)-N-(5-chloro-2-methylphenyl)-6-methyl-4-naphthalen-1-yl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide?
The InChIKey is AZUKHMHSNRAKJM-OAQYLSRUSA-N. The full InChI is InChI=1S/C23H20ClN3O2/c1-13-10-11-16(24)12-19(13)26-22(28)20-14(2)25-23(29)27-21(20)18-9-5-7-15-6-3-4-8-17(15)18/h3-12,21H,1-2H3,(H,26,28)(H2,25,27,29)/t21-/m1/s1.
What are the key properties of (4R)-N-(5-chloro-2-methylphenyl)-6-methyl-4-naphthalen-1-yl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide?
(4R)-N-(5-chloro-2-methylphenyl)-6-methyl-4-naphthalen-1-yl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide has a molecular weight of 405.89 g/mol, XLogP of 5.07, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-N-(5-chloro-2-methylphenyl)-6-methyl-4-naphthalen-1-yl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide is sourced from PubChem (CID 7741658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).