N-cyclopropyl-N-[(3-fluorophenyl)methyl]-2-oxo-6-phenyl-1H-pyridine-3-carboxamide

C22H19FN2O2 — CID 55761477

IUPACN-cyclopropyl-N-[(3-fluorophenyl)methyl]-2-oxo-6-phenyl-1H-pyridine-3-carboxamide
SMILESO=C(c1ccc(-c2ccccc2)[nH]c1=O)N(Cc1cccc(F)c1)C1CC1
InChIInChI=1S/C22H19FN2O2/c23-17-8-4-5-15(13-17)14-25(18-9-10-18)22(27)19-11-12-20(24-21(19)26)16-6-2-1-3-7-16/h1-8,11-13,18H,9-10,14H2,(H,24,26)
InChIKeyBCFWSWXOIXORGA-UHFFFAOYSA-N
MW362.40 g/mol
LogP3.99
Rot. Bonds5

About N-cyclopropyl-N-[(3-fluorophenyl)methyl]-2-oxo-6-phenyl-1H-pyridine-3-carboxamide

N-cyclopropyl-N-[(3-fluorophenyl)methyl]-2-oxo-6-phenyl-1H-pyridine-3-carboxamide (PubChem CID 55761477) has the molecular formula C22H19FN2O2 and a molecular weight of 362.40 g/mol. Its IUPAC name is N-cyclopropyl-N-[(3-fluorophenyl)methyl]-2-oxo-6-phenyl-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-N-[(3-fluorophenyl)methyl]-2-oxo-6-phenyl-1H-pyridine-3-carboxamide
PubChem CID55761477
Molecular FormulaC22H19FN2O2
Molecular Weight362.40 g/mol
Exact Mass362.14
IUPAC NameN-cyclopropyl-N-[(3-fluorophenyl)methyl]-2-oxo-6-phenyl-1H-pyridine-3-carboxamide
SMILESO=C(c1ccc(-c2ccccc2)[nH]c1=O)N(Cc1cccc(F)c1)C1CC1
InChIInChI=1S/C22H19FN2O2/c23-17-8-4-5-15(13-17)14-25(18-9-10-18)22(27)19-11-12-20(24-21(19)26)16-6-2-1-3-7-16/h1-8,11-13,18H,9-10,14H2,(H,24,26)
InChIKeyBCFWSWXOIXORGA-UHFFFAOYSA-N
XLogP3.99
TPSA53.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.40
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-[(3-fluorophenyl)methyl]-2-oxo-6-phenyl-1H-pyridine-3-carboxamide?
The IUPAC name of N-cyclopropyl-N-[(3-fluorophenyl)methyl]-2-oxo-6-phenyl-1H-pyridine-3-carboxamide (CID 55761477) is N-cyclopropyl-N-[(3-fluorophenyl)methyl]-2-oxo-6-phenyl-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-cyclopropyl-N-[(3-fluorophenyl)methyl]-2-oxo-6-phenyl-1H-pyridine-3-carboxamide?
The canonical SMILES for N-cyclopropyl-N-[(3-fluorophenyl)methyl]-2-oxo-6-phenyl-1H-pyridine-3-carboxamide is O=C(c1ccc(-c2ccccc2)[nH]c1=O)N(Cc1cccc(F)c1)C1CC1.
What is the InChIKey of N-cyclopropyl-N-[(3-fluorophenyl)methyl]-2-oxo-6-phenyl-1H-pyridine-3-carboxamide?
The InChIKey is BCFWSWXOIXORGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19FN2O2/c23-17-8-4-5-15(13-17)14-25(18-9-10-18)22(27)19-11-12-20(24-21(19)26)16-6-2-1-3-7-16/h1-8,11-13,18H,9-10,14H2,(H,24,26).
What are the key properties of N-cyclopropyl-N-[(3-fluorophenyl)methyl]-2-oxo-6-phenyl-1H-pyridine-3-carboxamide?
N-cyclopropyl-N-[(3-fluorophenyl)methyl]-2-oxo-6-phenyl-1H-pyridine-3-carboxamide has a molecular weight of 362.40 g/mol, XLogP of 3.99, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-[(3-fluorophenyl)methyl]-2-oxo-6-phenyl-1H-pyridine-3-carboxamide is sourced from PubChem (CID 55761477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).