N-[(3S)-1-[[3-[(6-ethyl-3-pyridinyl)carbamoylamino]-4-fluorophenyl]methyl]piperidin-3-yl]-N,2-dimethylpropanamide

C25H34FN5O2 — CID 66676795

IUPACN-[(3S)-1-[[3-[(6-ethyl-3-pyridinyl)carbamoylamino]-4-fluorophenyl]methyl]piperidin-3-yl]-N,2-dimethylpropanamide
SMILESCCc1ccc(NC(=O)Nc2cc(CN3CCC[C@H](N(C)C(=O)C(C)C)C3)ccc2F)cn1
InChIInChI=1S/C25H34FN5O2/c1-5-19-9-10-20(14-27-19)28-25(33)29-23-13-18(8-11-22(23)26)15-31-12-6-7-21(16-31)30(4)24(32)17(2)3/h8-11,13-14,17,21H,5-7,12,15-16H2,1-4H3,(H2,28,29,33)/t21-/m0/s1
InChIKeyNUUNSBMXHWVVPJ-NRFANRHFSA-N
MW455.58 g/mol
LogP4.51
Rot. Bonds7

About N-[(3S)-1-[[3-[(6-ethyl-3-pyridinyl)carbamoylamino]-4-fluorophenyl]methyl]piperidin-3-yl]-N,2-dimethylpropanamide

N-[(3S)-1-[[3-[(6-ethyl-3-pyridinyl)carbamoylamino]-4-fluorophenyl]methyl]piperidin-3-yl]-N,2-dimethylpropanamide (PubChem CID 66676795) has the molecular formula C25H34FN5O2 and a molecular weight of 455.58 g/mol. Its IUPAC name is N-[(3S)-1-[[3-[(6-ethyl-3-pyridinyl)carbamoylamino]-4-fluorophenyl]methyl]piperidin-3-yl]-N,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[(3S)-1-[[3-[(6-ethyl-3-pyridinyl)carbamoylamino]-4-fluorophenyl]methyl]piperidin-3-yl]-N,2-dimethylpropanamide
PubChem CID66676795
Molecular FormulaC25H34FN5O2
Molecular Weight455.58 g/mol
Exact Mass455.27
IUPAC NameN-[(3S)-1-[[3-[(6-ethyl-3-pyridinyl)carbamoylamino]-4-fluorophenyl]methyl]piperidin-3-yl]-N,2-dimethylpropanamide
SMILESCCc1ccc(NC(=O)Nc2cc(CN3CCC[C@H](N(C)C(=O)C(C)C)C3)ccc2F)cn1
InChIInChI=1S/C25H34FN5O2/c1-5-19-9-10-20(14-27-19)28-25(33)29-23-13-18(8-11-22(23)26)15-31-12-6-7-21(16-31)30(4)24(32)17(2)3/h8-11,13-14,17,21H,5-7,12,15-16H2,1-4H3,(H2,28,29,33)/t21-/m0/s1
InChIKeyNUUNSBMXHWVVPJ-NRFANRHFSA-N
XLogP4.51
TPSA77.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.58
LogP ≤ 54.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[(3S)-1-[[3-[(6-ethyl-3-pyridinyl)carbamoylamino]-4-fluorophenyl]methyl]piperidin-3-yl]-N,2-dimethylpropanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

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
N-[1-[[4-fluoro-3-[(6-methyl-3-pyridinyl)carbamoylamino]phenyl]methyl]piperidin-4-yl]-N-methylpropanamide
CID 56840161
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]-2-methoxyacetamide
CID 56839286
1-[2-fluoro-5-[[2-(hydroxymethyl)morpholin-4-yl]methyl]phenyl]-3-(6-methyl-3-pyridinyl)urea
CID 66676675
1-[5-[[(1-ethylsulfonylpiperidin-4-yl)-methylamino]methyl]-2-fluorophenyl]-3-(6-methyl-3-pyridinyl)urea
CID 66676155
propan-2-yl 4-[[3-[(6-cyano-3-pyridinyl)carbamoylamino]-4-fluorophenyl]methyl]piperazine-1-carboxylate
CID 66676670
1-[2-fluoro-5-[[(3S)-3-(methoxymethyl)-4-propylpiperazin-1-yl]methyl]phenyl]-3-(6-methyl-3-pyridinyl)urea
CID 91133892
(2S)-4-[[4-fluoro-3-[(6-methyl-3-pyridinyl)carbamoylamino]phenyl]methyl]-2-(methoxymethyl)piperazine-1-carboxylic acid
CID 68548928
methyl 4-[[4-fluoro-3-[(2-methylpyrimidin-5-yl)carbamoylamino]phenyl]methyl]piperazine-1-carboxylate
CID 11589447
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 N-[(3S)-1-[[3-[(6-ethyl-3-pyridinyl)carbamoylamino]-4-fluorophenyl]methyl]piperidin-3-yl]-N,2-dimethylpropanamide?
The IUPAC name of N-[(3S)-1-[[3-[(6-ethyl-3-pyridinyl)carbamoylamino]-4-fluorophenyl]methyl]piperidin-3-yl]-N,2-dimethylpropanamide (CID 66676795) is N-[(3S)-1-[[3-[(6-ethyl-3-pyridinyl)carbamoylamino]-4-fluorophenyl]methyl]piperidin-3-yl]-N,2-dimethylpropanamide.
What is the SMILES notation for N-[(3S)-1-[[3-[(6-ethyl-3-pyridinyl)carbamoylamino]-4-fluorophenyl]methyl]piperidin-3-yl]-N,2-dimethylpropanamide?
The canonical SMILES for N-[(3S)-1-[[3-[(6-ethyl-3-pyridinyl)carbamoylamino]-4-fluorophenyl]methyl]piperidin-3-yl]-N,2-dimethylpropanamide is CCc1ccc(NC(=O)Nc2cc(CN3CCC[C@H](N(C)C(=O)C(C)C)C3)ccc2F)cn1.
What is the InChIKey of N-[(3S)-1-[[3-[(6-ethyl-3-pyridinyl)carbamoylamino]-4-fluorophenyl]methyl]piperidin-3-yl]-N,2-dimethylpropanamide?
The InChIKey is NUUNSBMXHWVVPJ-NRFANRHFSA-N. The full InChI is InChI=1S/C25H34FN5O2/c1-5-19-9-10-20(14-27-19)28-25(33)29-23-13-18(8-11-22(23)26)15-31-12-6-7-21(16-31)30(4)24(32)17(2)3/h8-11,13-14,17,21H,5-7,12,15-16H2,1-4H3,(H2,28,29,33)/t21-/m0/s1.
What are the key properties of N-[(3S)-1-[[3-[(6-ethyl-3-pyridinyl)carbamoylamino]-4-fluorophenyl]methyl]piperidin-3-yl]-N,2-dimethylpropanamide?
N-[(3S)-1-[[3-[(6-ethyl-3-pyridinyl)carbamoylamino]-4-fluorophenyl]methyl]piperidin-3-yl]-N,2-dimethylpropanamide has a molecular weight of 455.58 g/mol, XLogP of 4.51, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-1-[[3-[(6-ethyl-3-pyridinyl)carbamoylamino]-4-fluorophenyl]methyl]piperidin-3-yl]-N,2-dimethylpropanamide is sourced from PubChem (CID 66676795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).