1-[2-(4-fluoroanilino)-2-oxoethyl]-2-oxo-N-[(2R)-1-piperidin-1-ylpropan-2-yl]pyridine-3-carboxamide

C22H27FN4O3 — CID 92635290

IUPAC1-[2-(4-fluoroanilino)-2-oxoethyl]-2-oxo-N-[(2R)-1-piperidin-1-ylpropan-2-yl]pyridine-3-carboxamide
SMILESC[C@H](CN1CCCCC1)NC(=O)c1cccn(CC(=O)Nc2ccc(F)cc2)c1=O
InChIInChI=1S/C22H27FN4O3/c1-16(14-26-11-3-2-4-12-26)24-21(29)19-6-5-13-27(22(19)30)15-20(28)25-18-9-7-17(23)8-10-18/h5-10,13,16H,2-4,11-12,14-15H2,1H3,(H,24,29)(H,25,28)/t16-/m1/s1
InChIKeyKYIIUNAMBHFWAP-MRXNPFEDSA-N
MW414.48 g/mol
LogP2.23
Rot. Bonds7

About 1-[2-(4-fluoroanilino)-2-oxoethyl]-2-oxo-N-[(2R)-1-piperidin-1-ylpropan-2-yl]pyridine-3-carboxamide

1-[2-(4-fluoroanilino)-2-oxoethyl]-2-oxo-N-[(2R)-1-piperidin-1-ylpropan-2-yl]pyridine-3-carboxamide (PubChem CID 92635290) has the molecular formula C22H27FN4O3 and a molecular weight of 414.48 g/mol. Its IUPAC name is 1-[2-(4-fluoroanilino)-2-oxoethyl]-2-oxo-N-[(2R)-1-piperidin-1-ylpropan-2-yl]pyridine-3-carboxamide.

Molecular Properties

Compound Name1-[2-(4-fluoroanilino)-2-oxoethyl]-2-oxo-N-[(2R)-1-piperidin-1-ylpropan-2-yl]pyridine-3-carboxamide
PubChem CID92635290
Molecular FormulaC22H27FN4O3
Molecular Weight414.48 g/mol
Exact Mass414.21
IUPAC Name1-[2-(4-fluoroanilino)-2-oxoethyl]-2-oxo-N-[(2R)-1-piperidin-1-ylpropan-2-yl]pyridine-3-carboxamide
SMILESC[C@H](CN1CCCCC1)NC(=O)c1cccn(CC(=O)Nc2ccc(F)cc2)c1=O
InChIInChI=1S/C22H27FN4O3/c1-16(14-26-11-3-2-4-12-26)24-21(29)19-6-5-13-27(22(19)30)15-20(28)25-18-9-7-17(23)8-10-18/h5-10,13,16H,2-4,11-12,14-15H2,1H3,(H,24,29)(H,25,28)/t16-/m1/s1
InChIKeyKYIIUNAMBHFWAP-MRXNPFEDSA-N
XLogP2.23
TPSA83.44 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.48
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-[2-(4-fluoroanilino)-2-oxoethyl]-2-oxo-N-[(2R)-1-piperidin-1-ylpropan-2-yl]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
4-fluoro-2-methyl-N-(1-pyrrolidin-1-ylpropan-2-yl)benzamide
CID 112702718
2-[3-(4-cyclopentylpiperazine-1-carbonyl)-2-oxo-1-pyridinyl]-N-(4-fluorophenyl)acetamide
CID 92635267
N-(4-fluorophenyl)-2-oxo-1-[2-oxo-2-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-ylamino)ethyl]pyridine-3-carboxamide
CID 92635131
N-(4-fluorophenyl)-2-[2-(1-hydroxyethyl)pyrrol-1-yl]acetamide
CID 79106625
1-[2-(4-ethylanilino)-2-oxoethyl]-2-oxopyridine-3-carboxylic acid
CID 82107975
2-hydroxy-3-methyl-N-(1-pyrrolidin-1-ylpropan-2-yl)benzamide
CID 61217194
3-hydroxy-2-methyl-N-(1-pyrrolidin-1-ylpropan-2-yl)benzamide
CID 82828949
N-[4-[[2-(azepan-1-yl)acetyl]amino]phenyl]propanamide
CID 54814408
6-methyl-4-oxo-N-(1-piperidin-1-ylpropan-2-yl)-1H-pyridine-3-carboxamide
CID 103717573
5-(methylamino)-N-(1-piperidin-1-ylpropan-2-yl)pyridine-2-carboxamide
CID 104641051
2-fluoro-N-(1-piperidin-1-ylpropan-2-yl)-5-sulfanylbenzamide
CID 107025381

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-fluoroanilino)-2-oxoethyl]-2-oxo-N-[(2R)-1-piperidin-1-ylpropan-2-yl]pyridine-3-carboxamide?
The IUPAC name of 1-[2-(4-fluoroanilino)-2-oxoethyl]-2-oxo-N-[(2R)-1-piperidin-1-ylpropan-2-yl]pyridine-3-carboxamide (CID 92635290) is 1-[2-(4-fluoroanilino)-2-oxoethyl]-2-oxo-N-[(2R)-1-piperidin-1-ylpropan-2-yl]pyridine-3-carboxamide.
What is the SMILES notation for 1-[2-(4-fluoroanilino)-2-oxoethyl]-2-oxo-N-[(2R)-1-piperidin-1-ylpropan-2-yl]pyridine-3-carboxamide?
The canonical SMILES for 1-[2-(4-fluoroanilino)-2-oxoethyl]-2-oxo-N-[(2R)-1-piperidin-1-ylpropan-2-yl]pyridine-3-carboxamide is C[C@H](CN1CCCCC1)NC(=O)c1cccn(CC(=O)Nc2ccc(F)cc2)c1=O.
What is the InChIKey of 1-[2-(4-fluoroanilino)-2-oxoethyl]-2-oxo-N-[(2R)-1-piperidin-1-ylpropan-2-yl]pyridine-3-carboxamide?
The InChIKey is KYIIUNAMBHFWAP-MRXNPFEDSA-N. The full InChI is InChI=1S/C22H27FN4O3/c1-16(14-26-11-3-2-4-12-26)24-21(29)19-6-5-13-27(22(19)30)15-20(28)25-18-9-7-17(23)8-10-18/h5-10,13,16H,2-4,11-12,14-15H2,1H3,(H,24,29)(H,25,28)/t16-/m1/s1.
What are the key properties of 1-[2-(4-fluoroanilino)-2-oxoethyl]-2-oxo-N-[(2R)-1-piperidin-1-ylpropan-2-yl]pyridine-3-carboxamide?
1-[2-(4-fluoroanilino)-2-oxoethyl]-2-oxo-N-[(2R)-1-piperidin-1-ylpropan-2-yl]pyridine-3-carboxamide has a molecular weight of 414.48 g/mol, XLogP of 2.23, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-fluoroanilino)-2-oxoethyl]-2-oxo-N-[(2R)-1-piperidin-1-ylpropan-2-yl]pyridine-3-carboxamide is sourced from PubChem (CID 92635290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).