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

C22H28FN5O3 — CID 56839286

IUPACN-[(3R)-1-[[4-fluoro-3-[(6-methyl-3-pyridinyl)carbamoylamino]phenyl]methyl]piperidin-3-yl]-2-methoxyacetamide
SMILESCOCC(=O)N[C@@H]1CCCN(Cc2ccc(F)c(NC(=O)Nc3ccc(C)nc3)c2)C1
InChIInChI=1S/C22H28FN5O3/c1-15-5-7-17(11-24-15)26-22(30)27-20-10-16(6-8-19(20)23)12-28-9-3-4-18(13-28)25-21(29)14-31-2/h5-8,10-11,18H,3-4,9,12-14H2,1-2H3,(H,25,29)(H2,26,27,30)/t18-/m1/s1
InChIKeyUUBGWMNLYBITEN-GOSISDBHSA-N
MW429.50 g/mol
LogP2.90
Rot. Bonds7

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

N-[(3R)-1-[[4-fluoro-3-[(6-methyl-3-pyridinyl)carbamoylamino]phenyl]methyl]piperidin-3-yl]-2-methoxyacetamide (PubChem CID 56839286) has the molecular formula C22H28FN5O3 and a molecular weight of 429.50 g/mol. Its IUPAC name is N-[(3R)-1-[[4-fluoro-3-[(6-methyl-3-pyridinyl)carbamoylamino]phenyl]methyl]piperidin-3-yl]-2-methoxyacetamide.

Molecular Properties

Compound NameN-[(3R)-1-[[4-fluoro-3-[(6-methyl-3-pyridinyl)carbamoylamino]phenyl]methyl]piperidin-3-yl]-2-methoxyacetamide
PubChem CID56839286
Molecular FormulaC22H28FN5O3
Molecular Weight429.50 g/mol
Exact Mass429.22
IUPAC NameN-[(3R)-1-[[4-fluoro-3-[(6-methyl-3-pyridinyl)carbamoylamino]phenyl]methyl]piperidin-3-yl]-2-methoxyacetamide
SMILESCOCC(=O)N[C@@H]1CCCN(Cc2ccc(F)c(NC(=O)Nc3ccc(C)nc3)c2)C1
InChIInChI=1S/C22H28FN5O3/c1-15-5-7-17(11-24-15)26-22(30)27-20-10-16(6-8-19(20)23)12-28-9-3-4-18(13-28)25-21(29)14-31-2/h5-8,10-11,18H,3-4,9,12-14H2,1-2H3,(H,25,29)(H2,26,27,30)/t18-/m1/s1
InChIKeyUUBGWMNLYBITEN-GOSISDBHSA-N
XLogP2.90
TPSA95.59 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.50
LogP ≤ 52.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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

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Launch Full Analysis

Related Compounds

2-ethoxy-N-[(3R)-1-[[4-fluoro-3-[(6-methyl-3-pyridinyl)carbamoylamino]phenyl]methyl]piperidin-3-yl]acetamide
CID 56839287
N-[(3R)-1-[[4-fluoro-3-[(6-methyl-3-pyridinyl)carbamoylamino]phenyl]methyl]piperidin-3-yl]-N-methylpropanamide
CID 56839493
N-[(3R)-1-[[4-fluoro-3-[(6-methyl-3-pyridinyl)carbamoylamino]phenyl]methyl]pyrrolidin-3-yl]-N-methylpropanamide
CID 66677156
(2S)-4-[[4-fluoro-3-[(6-methyl-3-pyridinyl)carbamoylamino]phenyl]methyl]-2-(methoxymethyl)piperazine-1-carboxylic acid
CID 68548928
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
N-[1-[[4-fluoro-3-[(6-methyl-3-pyridinyl)carbamoylamino]phenyl]methyl]piperidin-4-yl]-N-methylpropanamide
CID 56840161
methyl (3R)-3-[2-[4-fluoro-3-[(6-methyl-3-pyridinyl)carbamoylamino]phenyl]ethylamino]pyrrolidine-1-carboxylate
CID 90992173
2-ethoxy-N-[(3S)-1-[[4-fluoro-3-[formyl-[(6-methyl-3-pyridinyl)amino]amino]phenyl]methyl]piperidin-3-yl]acetamide
CID 56840362
N-[(3S)-1-[[3-[(6-ethyl-3-pyridinyl)carbamoylamino]-4-fluorophenyl]methyl]piperidin-3-yl]-N,2-dimethylpropanamide
CID 66676795
methyl 4-[[4-fluoro-3-[(2-methylpyrimidin-5-yl)carbamoylamino]phenyl]methyl]piperazine-1-carboxylate
CID 11589447
1-[5-[[(1-ethylsulfonylpiperidin-4-yl)-methylamino]methyl]-2-fluorophenyl]-3-(6-methyl-3-pyridinyl)urea
CID 66676155

Frequently Asked Questions

What is the IUPAC name of N-[(3R)-1-[[4-fluoro-3-[(6-methyl-3-pyridinyl)carbamoylamino]phenyl]methyl]piperidin-3-yl]-2-methoxyacetamide?
The IUPAC name of N-[(3R)-1-[[4-fluoro-3-[(6-methyl-3-pyridinyl)carbamoylamino]phenyl]methyl]piperidin-3-yl]-2-methoxyacetamide (CID 56839286) is N-[(3R)-1-[[4-fluoro-3-[(6-methyl-3-pyridinyl)carbamoylamino]phenyl]methyl]piperidin-3-yl]-2-methoxyacetamide.
What is the SMILES notation for N-[(3R)-1-[[4-fluoro-3-[(6-methyl-3-pyridinyl)carbamoylamino]phenyl]methyl]piperidin-3-yl]-2-methoxyacetamide?
The canonical SMILES for N-[(3R)-1-[[4-fluoro-3-[(6-methyl-3-pyridinyl)carbamoylamino]phenyl]methyl]piperidin-3-yl]-2-methoxyacetamide is COCC(=O)N[C@@H]1CCCN(Cc2ccc(F)c(NC(=O)Nc3ccc(C)nc3)c2)C1.
What is the InChIKey of N-[(3R)-1-[[4-fluoro-3-[(6-methyl-3-pyridinyl)carbamoylamino]phenyl]methyl]piperidin-3-yl]-2-methoxyacetamide?
The InChIKey is UUBGWMNLYBITEN-GOSISDBHSA-N. The full InChI is InChI=1S/C22H28FN5O3/c1-15-5-7-17(11-24-15)26-22(30)27-20-10-16(6-8-19(20)23)12-28-9-3-4-18(13-28)25-21(29)14-31-2/h5-8,10-11,18H,3-4,9,12-14H2,1-2H3,(H,25,29)(H2,26,27,30)/t18-/m1/s1.
What are the key properties of N-[(3R)-1-[[4-fluoro-3-[(6-methyl-3-pyridinyl)carbamoylamino]phenyl]methyl]piperidin-3-yl]-2-methoxyacetamide?
N-[(3R)-1-[[4-fluoro-3-[(6-methyl-3-pyridinyl)carbamoylamino]phenyl]methyl]piperidin-3-yl]-2-methoxyacetamide has a molecular weight of 429.50 g/mol, XLogP of 2.90, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-1-[[4-fluoro-3-[(6-methyl-3-pyridinyl)carbamoylamino]phenyl]methyl]piperidin-3-yl]-2-methoxyacetamide is sourced from PubChem (CID 56839286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).