N-[(4-fluorophenyl)methyl]-2-oxo-1-[2-oxo-2-(1-pyridin-2-ylethylamino)ethyl]pyridine-3-carboxamide

C22H21FN4O3 — CID 110246790

IUPACN-[(4-fluorophenyl)methyl]-2-oxo-1-[2-oxo-2-(1-pyridin-2-ylethylamino)ethyl]pyridine-3-carboxamide
SMILESCC(NC(=O)Cn1cccc(C(=O)NCc2ccc(F)cc2)c1=O)c1ccccn1
InChIInChI=1S/C22H21FN4O3/c1-15(19-6-2-3-11-24-19)26-20(28)14-27-12-4-5-18(22(27)30)21(29)25-13-16-7-9-17(23)10-8-16/h2-12,15H,13-14H2,1H3,(H,25,29)(H,26,28)
InChIKeyNYSVJYAHJMAYGM-UHFFFAOYSA-N
MW408.43 g/mol
LogP2.19
Rot. Bonds7

About N-[(4-fluorophenyl)methyl]-2-oxo-1-[2-oxo-2-(1-pyridin-2-ylethylamino)ethyl]pyridine-3-carboxamide

N-[(4-fluorophenyl)methyl]-2-oxo-1-[2-oxo-2-(1-pyridin-2-ylethylamino)ethyl]pyridine-3-carboxamide (PubChem CID 110246790) has the molecular formula C22H21FN4O3 and a molecular weight of 408.43 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-2-oxo-1-[2-oxo-2-(1-pyridin-2-ylethylamino)ethyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-2-oxo-1-[2-oxo-2-(1-pyridin-2-ylethylamino)ethyl]pyridine-3-carboxamide
PubChem CID110246790
Molecular FormulaC22H21FN4O3
Molecular Weight408.43 g/mol
Exact Mass408.16
IUPAC NameN-[(4-fluorophenyl)methyl]-2-oxo-1-[2-oxo-2-(1-pyridin-2-ylethylamino)ethyl]pyridine-3-carboxamide
SMILESCC(NC(=O)Cn1cccc(C(=O)NCc2ccc(F)cc2)c1=O)c1ccccn1
InChIInChI=1S/C22H21FN4O3/c1-15(19-6-2-3-11-24-19)26-20(28)14-27-12-4-5-18(22(27)30)21(29)25-13-16-7-9-17(23)10-8-16/h2-12,15H,13-14H2,1H3,(H,25,29)(H,26,28)
InChIKeyNYSVJYAHJMAYGM-UHFFFAOYSA-N
XLogP2.19
TPSA93.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.43
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[(4-fluorophenyl)methyl]-2-oxo-1-[2-oxo-2-(1-pyridin-2-ylethylamino)ethyl]pyridine-3-carboxamide with MolForge

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Related Compounds

N-(4-fluorophenyl)-2-oxo-1-[2-oxo-2-[[(1S)-1-pyridin-2-ylethyl]amino]ethyl]pyridine-3-carboxamide
CID 92635470
1-[2-(1-cyclopropylethylamino)-2-oxoethyl]-N-[(4-fluorophenyl)methyl]-2-oxopyridine-3-carboxamide
CID 110246763
N-(4-fluorophenyl)-6-oxo-1-[2-oxo-2-[[(1R)-1-pyridin-2-ylethyl]amino]ethyl]pyridine-3-carboxamide
CID 92635901
N-benzyl-1-[2-[1-(1,3-dimethylpyrazol-4-yl)ethylamino]-2-oxoethyl]-2-oxopyridine-3-carboxamide
CID 110246744
1-[2-[(1-ethylpyrazol-4-yl)amino]-2-oxoethyl]-N-[(4-fluorophenyl)methyl]-2-oxopyridine-3-carboxamide
CID 92635189
2-(4-fluorophenyl)sulfanyl-N-[(1S)-1-pyridin-2-ylethyl]acetamide
CID 35938252
N-[(1R)-1-pyridin-2-ylethyl]propanamide
CID 59509331
N-[(4-fluorophenyl)methyl]quinoxaline-5-carboxamide
CID 110701354
2-piperazin-1-yl-N-[(1R)-1-pyridin-2-ylethyl]acetamide
CID 81407274
2-(4-methylphenyl)-N-[(1R)-1-pyridin-2-ylethyl]acetamide
CID 25337547
1-[(1R)-1-(4-fluorophenyl)ethyl]-3-[(1R)-1-pyridin-2-ylethyl]urea
CID 33431970
2-(2,3-dioxo-4-phenylpyrazin-1-yl)-N-[(4-fluorophenyl)methyl]acetamide
CID 95921594

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-2-oxo-1-[2-oxo-2-(1-pyridin-2-ylethylamino)ethyl]pyridine-3-carboxamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-2-oxo-1-[2-oxo-2-(1-pyridin-2-ylethylamino)ethyl]pyridine-3-carboxamide (CID 110246790) is N-[(4-fluorophenyl)methyl]-2-oxo-1-[2-oxo-2-(1-pyridin-2-ylethylamino)ethyl]pyridine-3-carboxamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-2-oxo-1-[2-oxo-2-(1-pyridin-2-ylethylamino)ethyl]pyridine-3-carboxamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-2-oxo-1-[2-oxo-2-(1-pyridin-2-ylethylamino)ethyl]pyridine-3-carboxamide is CC(NC(=O)Cn1cccc(C(=O)NCc2ccc(F)cc2)c1=O)c1ccccn1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-2-oxo-1-[2-oxo-2-(1-pyridin-2-ylethylamino)ethyl]pyridine-3-carboxamide?
The InChIKey is NYSVJYAHJMAYGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21FN4O3/c1-15(19-6-2-3-11-24-19)26-20(28)14-27-12-4-5-18(22(27)30)21(29)25-13-16-7-9-17(23)10-8-16/h2-12,15H,13-14H2,1H3,(H,25,29)(H,26,28).
What are the key properties of N-[(4-fluorophenyl)methyl]-2-oxo-1-[2-oxo-2-(1-pyridin-2-ylethylamino)ethyl]pyridine-3-carboxamide?
N-[(4-fluorophenyl)methyl]-2-oxo-1-[2-oxo-2-(1-pyridin-2-ylethylamino)ethyl]pyridine-3-carboxamide has a molecular weight of 408.43 g/mol, XLogP of 2.19, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-2-oxo-1-[2-oxo-2-(1-pyridin-2-ylethylamino)ethyl]pyridine-3-carboxamide is sourced from PubChem (CID 110246790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).