2-ethoxy-N-[(3R)-1-[[4-fluoro-3-[(6-methyl-3-pyridinyl)carbamoylamino]phenyl]methyl]piperidin-3-yl]acetamide

C23H30FN5O3 — CID 56839287

IUPAC2-ethoxy-N-[(3R)-1-[[4-fluoro-3-[(6-methyl-3-pyridinyl)carbamoylamino]phenyl]methyl]piperidin-3-yl]acetamide
SMILESCCOCC(=O)N[C@@H]1CCCN(Cc2ccc(F)c(NC(=O)Nc3ccc(C)nc3)c2)C1
InChIInChI=1S/C23H30FN5O3/c1-3-32-15-22(30)26-19-5-4-10-29(14-19)13-17-7-9-20(24)21(11-17)28-23(31)27-18-8-6-16(2)25-12-18/h6-9,11-12,19H,3-5,10,13-15H2,1-2H3,(H,26,30)(H2,27,28,31)/t19-/m1/s1
InChIKeyFEHUDHAGQODLQG-LJQANCHMSA-N
MW443.52 g/mol
LogP3.29
Rot. Bonds8

About 2-ethoxy-N-[(3R)-1-[[4-fluoro-3-[(6-methyl-3-pyridinyl)carbamoylamino]phenyl]methyl]piperidin-3-yl]acetamide

2-ethoxy-N-[(3R)-1-[[4-fluoro-3-[(6-methyl-3-pyridinyl)carbamoylamino]phenyl]methyl]piperidin-3-yl]acetamide (PubChem CID 56839287) has the molecular formula C23H30FN5O3 and a molecular weight of 443.52 g/mol. Its IUPAC name is 2-ethoxy-N-[(3R)-1-[[4-fluoro-3-[(6-methyl-3-pyridinyl)carbamoylamino]phenyl]methyl]piperidin-3-yl]acetamide.

Molecular Properties

Compound Name2-ethoxy-N-[(3R)-1-[[4-fluoro-3-[(6-methyl-3-pyridinyl)carbamoylamino]phenyl]methyl]piperidin-3-yl]acetamide
PubChem CID56839287
Molecular FormulaC23H30FN5O3
Molecular Weight443.52 g/mol
Exact Mass443.23
IUPAC Name2-ethoxy-N-[(3R)-1-[[4-fluoro-3-[(6-methyl-3-pyridinyl)carbamoylamino]phenyl]methyl]piperidin-3-yl]acetamide
SMILESCCOCC(=O)N[C@@H]1CCCN(Cc2ccc(F)c(NC(=O)Nc3ccc(C)nc3)c2)C1
InChIInChI=1S/C23H30FN5O3/c1-3-32-15-22(30)26-19-5-4-10-29(14-19)13-17-7-9-20(24)21(11-17)28-23(31)27-18-8-6-16(2)25-12-18/h6-9,11-12,19H,3-5,10,13-15H2,1-2H3,(H,26,30)(H2,27,28,31)/t19-/m1/s1
InChIKeyFEHUDHAGQODLQG-LJQANCHMSA-N
XLogP3.29
TPSA95.59 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.52
LogP ≤ 53.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 2-ethoxy-N-[(3R)-1-[[4-fluoro-3-[(6-methyl-3-pyridinyl)carbamoylamino]phenyl]methyl]piperidin-3-yl]acetamide with MolForge

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Related Compounds

N-[(3R)-1-[[4-fluoro-3-[(6-methyl-3-pyridinyl)carbamoylamino]phenyl]methyl]piperidin-3-yl]-2-methoxyacetamide
CID 56839286
N-[(3R)-1-[[4-fluoro-3-[(6-methyl-3-pyridinyl)carbamoylamino]phenyl]methyl]piperidin-3-yl]-N-methylpropanamide
CID 56839493
2-ethoxy-N-[(3S)-1-[[4-fluoro-3-[formyl-[(6-methyl-3-pyridinyl)amino]amino]phenyl]methyl]piperidin-3-yl]acetamide
CID 56840362
N-[(3R)-1-[[4-fluoro-3-[(6-methyl-3-pyridinyl)carbamoylamino]phenyl]methyl]pyrrolidin-3-yl]-N-methylpropanamide
CID 66677156
N-[1-[[4-fluoro-3-[(6-methyl-3-pyridinyl)carbamoylamino]phenyl]methyl]piperidin-4-yl]-N-methylpropanamide
CID 56840161
1-[2-fluoro-5-[[(3S)-3-(methoxymethyl)-4-propylpiperazin-1-yl]methyl]phenyl]-3-(6-methyl-3-pyridinyl)urea
CID 91133892
1-[2-fluoro-5-[[2-(hydroxymethyl)morpholin-4-yl]methyl]phenyl]-3-(6-methyl-3-pyridinyl)urea
CID 66676675
(2S)-4-[[4-fluoro-3-[(6-methyl-3-pyridinyl)carbamoylamino]phenyl]methyl]-2-(methoxymethyl)piperazine-1-carboxylic acid
CID 68548928
N-[(3S)-1-[[3-[(6-ethyl-3-pyridinyl)carbamoylamino]-4-fluorophenyl]methyl]piperidin-3-yl]-N,2-dimethylpropanamide
CID 66676795
methyl (3R)-3-[2-[4-fluoro-3-[(6-methyl-3-pyridinyl)carbamoylamino]phenyl]ethylamino]pyrrolidine-1-carboxylate
CID 90992173
1-[5-[[(1-ethylsulfonylpiperidin-4-yl)-methylamino]methyl]-2-fluorophenyl]-3-(6-methyl-3-pyridinyl)urea
CID 66676155
1-[5-[[(3S,5R)-3,5-dimethylmorpholin-4-yl]methyl]-2-fluorophenyl]-3-(6-methyl-3-pyridinyl)urea
CID 66676872

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-N-[(3R)-1-[[4-fluoro-3-[(6-methyl-3-pyridinyl)carbamoylamino]phenyl]methyl]piperidin-3-yl]acetamide?
The IUPAC name of 2-ethoxy-N-[(3R)-1-[[4-fluoro-3-[(6-methyl-3-pyridinyl)carbamoylamino]phenyl]methyl]piperidin-3-yl]acetamide (CID 56839287) is 2-ethoxy-N-[(3R)-1-[[4-fluoro-3-[(6-methyl-3-pyridinyl)carbamoylamino]phenyl]methyl]piperidin-3-yl]acetamide.
What is the SMILES notation for 2-ethoxy-N-[(3R)-1-[[4-fluoro-3-[(6-methyl-3-pyridinyl)carbamoylamino]phenyl]methyl]piperidin-3-yl]acetamide?
The canonical SMILES for 2-ethoxy-N-[(3R)-1-[[4-fluoro-3-[(6-methyl-3-pyridinyl)carbamoylamino]phenyl]methyl]piperidin-3-yl]acetamide is CCOCC(=O)N[C@@H]1CCCN(Cc2ccc(F)c(NC(=O)Nc3ccc(C)nc3)c2)C1.
What is the InChIKey of 2-ethoxy-N-[(3R)-1-[[4-fluoro-3-[(6-methyl-3-pyridinyl)carbamoylamino]phenyl]methyl]piperidin-3-yl]acetamide?
The InChIKey is FEHUDHAGQODLQG-LJQANCHMSA-N. The full InChI is InChI=1S/C23H30FN5O3/c1-3-32-15-22(30)26-19-5-4-10-29(14-19)13-17-7-9-20(24)21(11-17)28-23(31)27-18-8-6-16(2)25-12-18/h6-9,11-12,19H,3-5,10,13-15H2,1-2H3,(H,26,30)(H2,27,28,31)/t19-/m1/s1.
What are the key properties of 2-ethoxy-N-[(3R)-1-[[4-fluoro-3-[(6-methyl-3-pyridinyl)carbamoylamino]phenyl]methyl]piperidin-3-yl]acetamide?
2-ethoxy-N-[(3R)-1-[[4-fluoro-3-[(6-methyl-3-pyridinyl)carbamoylamino]phenyl]methyl]piperidin-3-yl]acetamide has a molecular weight of 443.52 g/mol, XLogP of 3.29, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-N-[(3R)-1-[[4-fluoro-3-[(6-methyl-3-pyridinyl)carbamoylamino]phenyl]methyl]piperidin-3-yl]acetamide is sourced from PubChem (CID 56839287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).