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

C25H23FN4O3 — CID 70794830

IUPAC(6S)-6-(4-fluorophenyl)-3-methyl-N-[2-methyl-5-(1-methyl-2-oxo-3-pyridinyl)phenyl]-2-oxo-1,6-dihydropyrimidine-5-carboxamide
SMILESCc1ccc(-c2cccn(C)c2=O)cc1NC(=O)C1=CN(C)C(=O)N[C@H]1c1ccc(F)cc1
InChIInChI=1S/C25H23FN4O3/c1-15-6-7-17(19-5-4-12-29(2)24(19)32)13-21(15)27-23(31)20-14-30(3)25(33)28-22(20)16-8-10-18(26)11-9-16/h4-14,22H,1-3H3,(H,27,31)(H,28,33)/t22-/m0/s1
InChIKeyLUZYOFFYZVSXQK-QFIPXVFZSA-N
MW446.48 g/mol
LogP3.72
Rot. Bonds4

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

(6S)-6-(4-fluorophenyl)-3-methyl-N-[2-methyl-5-(1-methyl-2-oxo-3-pyridinyl)phenyl]-2-oxo-1,6-dihydropyrimidine-5-carboxamide (PubChem CID 70794830) has the molecular formula C25H23FN4O3 and a molecular weight of 446.48 g/mol. Its IUPAC name is (6S)-6-(4-fluorophenyl)-3-methyl-N-[2-methyl-5-(1-methyl-2-oxo-3-pyridinyl)phenyl]-2-oxo-1,6-dihydropyrimidine-5-carboxamide.

Molecular Properties

Compound Name(6S)-6-(4-fluorophenyl)-3-methyl-N-[2-methyl-5-(1-methyl-2-oxo-3-pyridinyl)phenyl]-2-oxo-1,6-dihydropyrimidine-5-carboxamide
PubChem CID70794830
Molecular FormulaC25H23FN4O3
Molecular Weight446.48 g/mol
Exact Mass446.18
IUPAC Name(6S)-6-(4-fluorophenyl)-3-methyl-N-[2-methyl-5-(1-methyl-2-oxo-3-pyridinyl)phenyl]-2-oxo-1,6-dihydropyrimidine-5-carboxamide
SMILESCc1ccc(-c2cccn(C)c2=O)cc1NC(=O)C1=CN(C)C(=O)N[C@H]1c1ccc(F)cc1
InChIInChI=1S/C25H23FN4O3/c1-15-6-7-17(19-5-4-12-29(2)24(19)32)13-21(15)27-23(31)20-14-30(3)25(33)28-22(20)16-8-10-18(26)11-9-16/h4-14,22H,1-3H3,(H,27,31)(H,28,33)/t22-/m0/s1
InChIKeyLUZYOFFYZVSXQK-QFIPXVFZSA-N
XLogP3.72
TPSA83.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.48
LogP ≤ 53.72
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-(1-methyl-2-oxo-3-pyridinyl)phenyl]-2-oxo-1,6-dihydropyrimidine-5-carboxamide?
The IUPAC name of (6S)-6-(4-fluorophenyl)-3-methyl-N-[2-methyl-5-(1-methyl-2-oxo-3-pyridinyl)phenyl]-2-oxo-1,6-dihydropyrimidine-5-carboxamide (CID 70794830) is (6S)-6-(4-fluorophenyl)-3-methyl-N-[2-methyl-5-(1-methyl-2-oxo-3-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-(1-methyl-2-oxo-3-pyridinyl)phenyl]-2-oxo-1,6-dihydropyrimidine-5-carboxamide?
The canonical SMILES for (6S)-6-(4-fluorophenyl)-3-methyl-N-[2-methyl-5-(1-methyl-2-oxo-3-pyridinyl)phenyl]-2-oxo-1,6-dihydropyrimidine-5-carboxamide is Cc1ccc(-c2cccn(C)c2=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-(1-methyl-2-oxo-3-pyridinyl)phenyl]-2-oxo-1,6-dihydropyrimidine-5-carboxamide?
The InChIKey is LUZYOFFYZVSXQK-QFIPXVFZSA-N. The full InChI is InChI=1S/C25H23FN4O3/c1-15-6-7-17(19-5-4-12-29(2)24(19)32)13-21(15)27-23(31)20-14-30(3)25(33)28-22(20)16-8-10-18(26)11-9-16/h4-14,22H,1-3H3,(H,27,31)(H,28,33)/t22-/m0/s1.
What are the key properties of (6S)-6-(4-fluorophenyl)-3-methyl-N-[2-methyl-5-(1-methyl-2-oxo-3-pyridinyl)phenyl]-2-oxo-1,6-dihydropyrimidine-5-carboxamide?
(6S)-6-(4-fluorophenyl)-3-methyl-N-[2-methyl-5-(1-methyl-2-oxo-3-pyridinyl)phenyl]-2-oxo-1,6-dihydropyrimidine-5-carboxamide has a molecular weight of 446.48 g/mol, XLogP of 3.72, 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-(1-methyl-2-oxo-3-pyridinyl)phenyl]-2-oxo-1,6-dihydropyrimidine-5-carboxamide is sourced from PubChem (CID 70794830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).