(6S)-6-(4-fluorophenyl)-3-methyl-N-[2-methyl-5-(2-oxo-1-pyridinyl)phenyl]-2-oxo-1,6-dihydropyrimidine-5-carboxamide

C24H21FN4O3 — CID 70794829

IUPAC(6S)-6-(4-fluorophenyl)-3-methyl-N-[2-methyl-5-(2-oxo-1-pyridinyl)phenyl]-2-oxo-1,6-dihydropyrimidine-5-carboxamide
SMILESCc1ccc(-n2ccccc2=O)cc1NC(=O)C1=CN(C)C(=O)N[C@H]1c1ccc(F)cc1
InChIInChI=1S/C24H21FN4O3/c1-15-6-11-18(29-12-4-3-5-21(29)30)13-20(15)26-23(31)19-14-28(2)24(32)27-22(19)16-7-9-17(25)10-8-16/h3-14,22H,1-2H3,(H,26,31)(H,27,32)/t22-/m0/s1
InChIKeyGGVPRFJRROOJEI-QFIPXVFZSA-N
MW432.46 g/mol
LogP3.50
Rot. Bonds4

About (6S)-6-(4-fluorophenyl)-3-methyl-N-[2-methyl-5-(2-oxo-1-pyridinyl)phenyl]-2-oxo-1,6-dihydropyrimidine-5-carboxamide

(6S)-6-(4-fluorophenyl)-3-methyl-N-[2-methyl-5-(2-oxo-1-pyridinyl)phenyl]-2-oxo-1,6-dihydropyrimidine-5-carboxamide (PubChem CID 70794829) has the molecular formula C24H21FN4O3 and a molecular weight of 432.46 g/mol. Its IUPAC name is (6S)-6-(4-fluorophenyl)-3-methyl-N-[2-methyl-5-(2-oxo-1-pyridinyl)phenyl]-2-oxo-1,6-dihydropyrimidine-5-carboxamide.

Molecular Properties

Compound Name(6S)-6-(4-fluorophenyl)-3-methyl-N-[2-methyl-5-(2-oxo-1-pyridinyl)phenyl]-2-oxo-1,6-dihydropyrimidine-5-carboxamide
PubChem CID70794829
Molecular FormulaC24H21FN4O3
Molecular Weight432.46 g/mol
Exact Mass432.16
IUPAC Name(6S)-6-(4-fluorophenyl)-3-methyl-N-[2-methyl-5-(2-oxo-1-pyridinyl)phenyl]-2-oxo-1,6-dihydropyrimidine-5-carboxamide
SMILESCc1ccc(-n2ccccc2=O)cc1NC(=O)C1=CN(C)C(=O)N[C@H]1c1ccc(F)cc1
InChIInChI=1S/C24H21FN4O3/c1-15-6-11-18(29-12-4-3-5-21(29)30)13-20(15)26-23(31)19-14-28(2)24(32)27-22(19)16-7-9-17(25)10-8-16/h3-14,22H,1-2H3,(H,26,31)(H,27,32)/t22-/m0/s1
InChIKeyGGVPRFJRROOJEI-QFIPXVFZSA-N
XLogP3.50
TPSA83.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.46
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (6S)-6-(4-fluorophenyl)-3-methyl-N-[2-methyl-5-(2-oxo-1-pyridinyl)phenyl]-2-oxo-1,6-dihydropyrimidine-5-carboxamide?
The IUPAC name of (6S)-6-(4-fluorophenyl)-3-methyl-N-[2-methyl-5-(2-oxo-1-pyridinyl)phenyl]-2-oxo-1,6-dihydropyrimidine-5-carboxamide (CID 70794829) is (6S)-6-(4-fluorophenyl)-3-methyl-N-[2-methyl-5-(2-oxo-1-pyridinyl)phenyl]-2-oxo-1,6-dihydropyrimidine-5-carboxamide.
What is the SMILES notation for (6S)-6-(4-fluorophenyl)-3-methyl-N-[2-methyl-5-(2-oxo-1-pyridinyl)phenyl]-2-oxo-1,6-dihydropyrimidine-5-carboxamide?
The canonical SMILES for (6S)-6-(4-fluorophenyl)-3-methyl-N-[2-methyl-5-(2-oxo-1-pyridinyl)phenyl]-2-oxo-1,6-dihydropyrimidine-5-carboxamide is Cc1ccc(-n2ccccc2=O)cc1NC(=O)C1=CN(C)C(=O)N[C@H]1c1ccc(F)cc1.
What is the InChIKey of (6S)-6-(4-fluorophenyl)-3-methyl-N-[2-methyl-5-(2-oxo-1-pyridinyl)phenyl]-2-oxo-1,6-dihydropyrimidine-5-carboxamide?
The InChIKey is GGVPRFJRROOJEI-QFIPXVFZSA-N. The full InChI is InChI=1S/C24H21FN4O3/c1-15-6-11-18(29-12-4-3-5-21(29)30)13-20(15)26-23(31)19-14-28(2)24(32)27-22(19)16-7-9-17(25)10-8-16/h3-14,22H,1-2H3,(H,26,31)(H,27,32)/t22-/m0/s1.
What are the key properties of (6S)-6-(4-fluorophenyl)-3-methyl-N-[2-methyl-5-(2-oxo-1-pyridinyl)phenyl]-2-oxo-1,6-dihydropyrimidine-5-carboxamide?
(6S)-6-(4-fluorophenyl)-3-methyl-N-[2-methyl-5-(2-oxo-1-pyridinyl)phenyl]-2-oxo-1,6-dihydropyrimidine-5-carboxamide has a molecular weight of 432.46 g/mol, XLogP of 3.50, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-6-(4-fluorophenyl)-3-methyl-N-[2-methyl-5-(2-oxo-1-pyridinyl)phenyl]-2-oxo-1,6-dihydropyrimidine-5-carboxamide is sourced from PubChem (CID 70794829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).