(4R)-4-(4-fluorophenyl)-N-[3-(hydroxymethyl)-2-methylphenyl]-2-oxo-3,4-dihydro-1H-pyridine-5-carboxamide

C20H19FN2O3 — CID 59378001

IUPAC(4R)-4-(4-fluorophenyl)-N-[3-(hydroxymethyl)-2-methylphenyl]-2-oxo-3,4-dihydro-1H-pyridine-5-carboxamide
SMILESCc1c(CO)cccc1NC(=O)C1=CNC(=O)C[C@@H]1c1ccc(F)cc1
InChIInChI=1S/C20H19FN2O3/c1-12-14(11-24)3-2-4-18(12)23-20(26)17-10-22-19(25)9-16(17)13-5-7-15(21)8-6-13/h2-8,10,16,24H,9,11H2,1H3,(H,22,25)(H,23,26)/t16-/m1/s1
InChIKeyAJKRZIQSNCRUSJ-MRXNPFEDSA-N
MW354.38 g/mol
LogP2.75
Rot. Bonds4

About (4R)-4-(4-fluorophenyl)-N-[3-(hydroxymethyl)-2-methylphenyl]-2-oxo-3,4-dihydro-1H-pyridine-5-carboxamide

(4R)-4-(4-fluorophenyl)-N-[3-(hydroxymethyl)-2-methylphenyl]-2-oxo-3,4-dihydro-1H-pyridine-5-carboxamide (PubChem CID 59378001) has the molecular formula C20H19FN2O3 and a molecular weight of 354.38 g/mol. Its IUPAC name is (4R)-4-(4-fluorophenyl)-N-[3-(hydroxymethyl)-2-methylphenyl]-2-oxo-3,4-dihydro-1H-pyridine-5-carboxamide.

Molecular Properties

Compound Name(4R)-4-(4-fluorophenyl)-N-[3-(hydroxymethyl)-2-methylphenyl]-2-oxo-3,4-dihydro-1H-pyridine-5-carboxamide
PubChem CID59378001
Molecular FormulaC20H19FN2O3
Molecular Weight354.38 g/mol
Exact Mass354.14
IUPAC Name(4R)-4-(4-fluorophenyl)-N-[3-(hydroxymethyl)-2-methylphenyl]-2-oxo-3,4-dihydro-1H-pyridine-5-carboxamide
SMILESCc1c(CO)cccc1NC(=O)C1=CNC(=O)C[C@@H]1c1ccc(F)cc1
InChIInChI=1S/C20H19FN2O3/c1-12-14(11-24)3-2-4-18(12)23-20(26)17-10-22-19(25)9-16(17)13-5-7-15(21)8-6-13/h2-8,10,16,24H,9,11H2,1H3,(H,22,25)(H,23,26)/t16-/m1/s1
InChIKeyAJKRZIQSNCRUSJ-MRXNPFEDSA-N
XLogP2.75
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.38
LogP ≤ 52.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4R)-4-(4-fluorophenyl)-N-[3-(hydroxymethyl)-2-methylphenyl]-2-oxo-3,4-dihydro-1H-pyridine-5-carboxamide?
The IUPAC name of (4R)-4-(4-fluorophenyl)-N-[3-(hydroxymethyl)-2-methylphenyl]-2-oxo-3,4-dihydro-1H-pyridine-5-carboxamide (CID 59378001) is (4R)-4-(4-fluorophenyl)-N-[3-(hydroxymethyl)-2-methylphenyl]-2-oxo-3,4-dihydro-1H-pyridine-5-carboxamide.
What is the SMILES notation for (4R)-4-(4-fluorophenyl)-N-[3-(hydroxymethyl)-2-methylphenyl]-2-oxo-3,4-dihydro-1H-pyridine-5-carboxamide?
The canonical SMILES for (4R)-4-(4-fluorophenyl)-N-[3-(hydroxymethyl)-2-methylphenyl]-2-oxo-3,4-dihydro-1H-pyridine-5-carboxamide is Cc1c(CO)cccc1NC(=O)C1=CNC(=O)C[C@@H]1c1ccc(F)cc1.
What is the InChIKey of (4R)-4-(4-fluorophenyl)-N-[3-(hydroxymethyl)-2-methylphenyl]-2-oxo-3,4-dihydro-1H-pyridine-5-carboxamide?
The InChIKey is AJKRZIQSNCRUSJ-MRXNPFEDSA-N. The full InChI is InChI=1S/C20H19FN2O3/c1-12-14(11-24)3-2-4-18(12)23-20(26)17-10-22-19(25)9-16(17)13-5-7-15(21)8-6-13/h2-8,10,16,24H,9,11H2,1H3,(H,22,25)(H,23,26)/t16-/m1/s1.
What are the key properties of (4R)-4-(4-fluorophenyl)-N-[3-(hydroxymethyl)-2-methylphenyl]-2-oxo-3,4-dihydro-1H-pyridine-5-carboxamide?
(4R)-4-(4-fluorophenyl)-N-[3-(hydroxymethyl)-2-methylphenyl]-2-oxo-3,4-dihydro-1H-pyridine-5-carboxamide has a molecular weight of 354.38 g/mol, XLogP of 2.75, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-(4-fluorophenyl)-N-[3-(hydroxymethyl)-2-methylphenyl]-2-oxo-3,4-dihydro-1H-pyridine-5-carboxamide is sourced from PubChem (CID 59378001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).