N-[1-(6-oxo-1H-pyridin-3-yl)pentyl]-2-[1-[[1-[4-(trifluoromethyl)phenyl]pyrrol-3-yl]methyl]piperidin-4-yl]acetamide

C29H35F3N4O2 — CID 44557554

IUPACN-[1-(6-oxo-1H-pyridin-3-yl)pentyl]-2-[1-[[1-[4-(trifluoromethyl)phenyl]pyrrol-3-yl]methyl]piperidin-4-yl]acetamide
SMILESCCCCC(NC(=O)CC1CCN(Cc2ccn(-c3ccc(C(F)(F)F)cc3)c2)CC1)c1ccc(=O)[nH]c1
InChIInChI=1S/C29H35F3N4O2/c1-2-3-4-26(23-5-10-27(37)33-18-23)34-28(38)17-21-11-14-35(15-12-21)19-22-13-16-36(20-22)25-8-6-24(7-9-25)29(30,31)32/h5-10,13,16,18,20-21,26H,2-4,11-12,14-15,17,19H2,1H3,(H,33,37)(H,34,38)
InChIKeyORCCEUNUHQADKD-UHFFFAOYSA-N
MW528.62 g/mol
LogP5.83
Rot. Bonds10

About N-[1-(6-oxo-1H-pyridin-3-yl)pentyl]-2-[1-[[1-[4-(trifluoromethyl)phenyl]pyrrol-3-yl]methyl]piperidin-4-yl]acetamide

N-[1-(6-oxo-1H-pyridin-3-yl)pentyl]-2-[1-[[1-[4-(trifluoromethyl)phenyl]pyrrol-3-yl]methyl]piperidin-4-yl]acetamide (PubChem CID 44557554) has the molecular formula C29H35F3N4O2 and a molecular weight of 528.62 g/mol. Its IUPAC name is N-[1-(6-oxo-1H-pyridin-3-yl)pentyl]-2-[1-[[1-[4-(trifluoromethyl)phenyl]pyrrol-3-yl]methyl]piperidin-4-yl]acetamide.

Molecular Properties

Compound NameN-[1-(6-oxo-1H-pyridin-3-yl)pentyl]-2-[1-[[1-[4-(trifluoromethyl)phenyl]pyrrol-3-yl]methyl]piperidin-4-yl]acetamide
PubChem CID44557554
Molecular FormulaC29H35F3N4O2
Molecular Weight528.62 g/mol
Exact Mass528.27
IUPAC NameN-[1-(6-oxo-1H-pyridin-3-yl)pentyl]-2-[1-[[1-[4-(trifluoromethyl)phenyl]pyrrol-3-yl]methyl]piperidin-4-yl]acetamide
SMILESCCCCC(NC(=O)CC1CCN(Cc2ccn(-c3ccc(C(F)(F)F)cc3)c2)CC1)c1ccc(=O)[nH]c1
InChIInChI=1S/C29H35F3N4O2/c1-2-3-4-26(23-5-10-27(37)33-18-23)34-28(38)17-21-11-14-35(15-12-21)19-22-13-16-36(20-22)25-8-6-24(7-9-25)29(30,31)32/h5-10,13,16,18,20-21,26H,2-4,11-12,14-15,17,19H2,1H3,(H,33,37)(H,34,38)
InChIKeyORCCEUNUHQADKD-UHFFFAOYSA-N
XLogP5.83
TPSA70.13 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500528.62
LogP ≤ 55.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[1-(6-oxo-1H-pyridin-3-yl)pentyl]-2-[1-[[1-[4-(trifluoromethyl)phenyl]pyrrol-3-yl]methyl]piperidin-4-yl]acetamide 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

Niaprazine
CID 71919
(3R,4S)-N-[(1-benzyl-4-fluoroindol-3-yl)methyl]-N-cyclopropyl-4-(1-methyl-2-oxo-4-pyridinyl)piperidine-3-carboxamide
CID 44479308
(3R,4S)-N-cyclopropyl-N-[[4-fluoro-1-[(3-fluorophenyl)methyl]indol-3-yl]methyl]-4-(1-methyl-2-oxo-4-pyridinyl)piperidine-3-carboxamide
CID 56670429
1-[1-(1H-pyrrole-3-carbonyl)piperidin-4-yl]-3-[4-(trifluoromethyl)phenyl]urea
CID 118409075
4-acetamido-N-(pyridin-3-ylmethyl)benzamide
CID 669478
piperidino[4-(1H-pyrrol-1-yl)phenyl]methanone
CID 1472874
(1S,2S)-N-{4-[(1S)-1-(propanoylamino)ethyl]phenyl}-2-(pyridin-3-yl)cyclopropane-1-carboxamide
CID 134817505
(Phenylalaninyl-prolinyl)-(2-(pyridin-4-ylamino)-ethyl)-amine
CID 23586040
(3R,4S)-N-cyclopropyl-N-[[4-fluoro-1-[(4-fluorophenyl)methyl]indol-3-yl]methyl]-4-(1-methyl-2-oxo-4-pyridinyl)piperidine-3-carboxamide
CID 56683890
(2S)-1-methyl-N-[(1S)-1-[4-[[(1S,2S)-2-pyridin-3-ylcyclopropanecarbonyl]amino]phenyl]ethyl]pyrrolidine-2-carboxamide
CID 145964467
N-[(1S)-1-[4-[[(1S,2S)-2-pyridin-3-ylcyclopropanecarbonyl]amino]phenyl]ethyl]benzamide
CID 145964716
4-fluoro-N-[(1R)-2,2,2-trifluoro-1-[4-[[(1S,2S)-2-pyridin-3-ylcyclopropanecarbonyl]amino]phenyl]ethyl]benzamide
CID 145977793

Frequently Asked Questions

What is the IUPAC name of N-[1-(6-oxo-1H-pyridin-3-yl)pentyl]-2-[1-[[1-[4-(trifluoromethyl)phenyl]pyrrol-3-yl]methyl]piperidin-4-yl]acetamide?
The IUPAC name of N-[1-(6-oxo-1H-pyridin-3-yl)pentyl]-2-[1-[[1-[4-(trifluoromethyl)phenyl]pyrrol-3-yl]methyl]piperidin-4-yl]acetamide (CID 44557554) is N-[1-(6-oxo-1H-pyridin-3-yl)pentyl]-2-[1-[[1-[4-(trifluoromethyl)phenyl]pyrrol-3-yl]methyl]piperidin-4-yl]acetamide.
What is the SMILES notation for N-[1-(6-oxo-1H-pyridin-3-yl)pentyl]-2-[1-[[1-[4-(trifluoromethyl)phenyl]pyrrol-3-yl]methyl]piperidin-4-yl]acetamide?
The canonical SMILES for N-[1-(6-oxo-1H-pyridin-3-yl)pentyl]-2-[1-[[1-[4-(trifluoromethyl)phenyl]pyrrol-3-yl]methyl]piperidin-4-yl]acetamide is CCCCC(NC(=O)CC1CCN(Cc2ccn(-c3ccc(C(F)(F)F)cc3)c2)CC1)c1ccc(=O)[nH]c1.
What is the InChIKey of N-[1-(6-oxo-1H-pyridin-3-yl)pentyl]-2-[1-[[1-[4-(trifluoromethyl)phenyl]pyrrol-3-yl]methyl]piperidin-4-yl]acetamide?
The InChIKey is ORCCEUNUHQADKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H35F3N4O2/c1-2-3-4-26(23-5-10-27(37)33-18-23)34-28(38)17-21-11-14-35(15-12-21)19-22-13-16-36(20-22)25-8-6-24(7-9-25)29(30,31)32/h5-10,13,16,18,20-21,26H,2-4,11-12,14-15,17,19H2,1H3,(H,33,37)(H,34,38).
What are the key properties of N-[1-(6-oxo-1H-pyridin-3-yl)pentyl]-2-[1-[[1-[4-(trifluoromethyl)phenyl]pyrrol-3-yl]methyl]piperidin-4-yl]acetamide?
N-[1-(6-oxo-1H-pyridin-3-yl)pentyl]-2-[1-[[1-[4-(trifluoromethyl)phenyl]pyrrol-3-yl]methyl]piperidin-4-yl]acetamide has a molecular weight of 528.62 g/mol, XLogP of 5.83, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(6-oxo-1H-pyridin-3-yl)pentyl]-2-[1-[[1-[4-(trifluoromethyl)phenyl]pyrrol-3-yl]methyl]piperidin-4-yl]acetamide is sourced from PubChem (CID 44557554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).