N-cyclopentyl-1-[6-[(3S,4R,5S)-3,4-dihydroxy-5-[[6-(trifluoromethyl)-2-pyridinyl]amino]piperidin-1-yl]-3-pyridinyl]piperidine-4-carboxamide

C27H35F3N6O3 — CID 171556711

IUPACN-cyclopentyl-1-[6-[(3S,4R,5S)-3,4-dihydroxy-5-[[6-(trifluoromethyl)-2-pyridinyl]amino]piperidin-1-yl]-3-pyridinyl]piperidine-4-carboxamide
SMILESO=C(NC1CCCC1)C1CCN(c2ccc(N3C[C@H](Nc4cccc(C(F)(F)F)n4)[C@@H](O)[C@@H](O)C3)nc2)CC1
InChIInChI=1S/C27H35F3N6O3/c28-27(29,30)22-6-3-7-23(34-22)33-20-15-36(16-21(37)25(20)38)24-9-8-19(14-31-24)35-12-10-17(11-13-35)26(39)32-18-4-1-2-5-18/h3,6-9,14,17-18,20-21,25,37-38H,1-2,4-5,10-13,15-16H2,(H,32,39)(H,33,34)/t20-,21-,25+/m0/s1
InChIKeyUUNJNOVWSPLMME-STWLZBDKSA-N
MW548.61 g/mol
LogP2.79
Rot. Bonds6

About N-cyclopentyl-1-[6-[(3S,4R,5S)-3,4-dihydroxy-5-[[6-(trifluoromethyl)-2-pyridinyl]amino]piperidin-1-yl]-3-pyridinyl]piperidine-4-carboxamide

N-cyclopentyl-1-[6-[(3S,4R,5S)-3,4-dihydroxy-5-[[6-(trifluoromethyl)-2-pyridinyl]amino]piperidin-1-yl]-3-pyridinyl]piperidine-4-carboxamide (PubChem CID 171556711) has the molecular formula C27H35F3N6O3 and a molecular weight of 548.61 g/mol. Its IUPAC name is N-cyclopentyl-1-[6-[(3S,4R,5S)-3,4-dihydroxy-5-[[6-(trifluoromethyl)-2-pyridinyl]amino]piperidin-1-yl]-3-pyridinyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-cyclopentyl-1-[6-[(3S,4R,5S)-3,4-dihydroxy-5-[[6-(trifluoromethyl)-2-pyridinyl]amino]piperidin-1-yl]-3-pyridinyl]piperidine-4-carboxamide
PubChem CID171556711
Molecular FormulaC27H35F3N6O3
Molecular Weight548.61 g/mol
Exact Mass548.27
IUPAC NameN-cyclopentyl-1-[6-[(3S,4R,5S)-3,4-dihydroxy-5-[[6-(trifluoromethyl)-2-pyridinyl]amino]piperidin-1-yl]-3-pyridinyl]piperidine-4-carboxamide
SMILESO=C(NC1CCCC1)C1CCN(c2ccc(N3C[C@H](Nc4cccc(C(F)(F)F)n4)[C@@H](O)[C@@H](O)C3)nc2)CC1
InChIInChI=1S/C27H35F3N6O3/c28-27(29,30)22-6-3-7-23(34-22)33-20-15-36(16-21(37)25(20)38)24-9-8-19(14-31-24)35-12-10-17(11-13-35)26(39)32-18-4-1-2-5-18/h3,6-9,14,17-18,20-21,25,37-38H,1-2,4-5,10-13,15-16H2,(H,32,39)(H,33,34)/t20-,21-,25+/m0/s1
InChIKeyUUNJNOVWSPLMME-STWLZBDKSA-N
XLogP2.79
TPSA113.85 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500548.61
LogP ≤ 52.79
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Analyze N-cyclopentyl-1-[6-[(3S,4R,5S)-3,4-dihydroxy-5-[[6-(trifluoromethyl)-2-pyridinyl]amino]piperidin-1-yl]-3-pyridinyl]piperidine-4-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

1-(6-(2-Hydroxyethylamino)pyridin-3-yl)-3-((2-(4-methylpiperidin-1-yl)-6-(trifluoromethyl)pyridin-3-yl)methyl)urea
CID 71238361
1-(4-morpholin-4-ylpyrimidin-5-yl)-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide
CID 53201089
N-[(3S,4S)-3-hydroxy-1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]pyrazine-2-carboxamide
CID 164641380
4-[4-(6-Methyl-3-pyridinyl)piperazin-1-yl]-1-[4-[[5-(trifluoromethyl)-2-pyridinyl]amino]piperidin-1-yl]butan-1-one
CID 58577060
1-[6-(3-Hydroxyazetidin-1-yl)pyridin-3-yl]-3-[[2-(4-methylpiperidin-1-yl)-6-(trifluoromethyl)pyridin-3-yl]methyl]urea
CID 71237899
1-[6-[(3S)-3-hydroxypyrrolidin-1-yl]pyridin-3-yl]-3-[[2-(4-methylpiperidin-1-yl)-6-(trifluoromethyl)pyridin-3-yl]methyl]urea
CID 71238036
1-[6-(3-Hydroxypyrrolidin-1-yl)-3-pyridinyl]-3-[[2-(4-methylpiperidin-1-yl)-6-(trifluoromethyl)-3-pyridinyl]methyl]urea
CID 71238037
1-(6-((2-Hydroxyethyl)(methyl)amino)pyridin-3-yl)-3-((2-(4-methylpiperidin-1-yl)-6-(trifluoromethyl)pyridin-3-yl)methyl)urea
CID 71238218
1-[6-[(3R)-3-hydroxypyrrolidin-1-yl]pyridin-3-yl]-3-[[2-(4-methylpiperidin-1-yl)-6-(trifluoromethyl)pyridin-3-yl]methyl]urea
CID 71238447
2-(6-((2-hydroxyethyl)(methyl)amino)pyridin-3-yl)-N-((2-(4-methylpiperidin-1-yl)-6-(trifluoromethyl)pyridin-3-yl)methyl)propanamide
CID 71238596
N-[2-[2-(3-fluorophenyl)ethylamino]-6-(5-hydroxy-2-oxopiperidin-1-yl)-3-pyridinyl]-N-(pyridin-3-ylmethyl)formamide
CID 87302388
1-[4-[[5-(Trifluoromethyl)pyridin-2-yl]amino]piperidin-1-yl]-4-[4-[6-(trifluoromethyl)pyridin-3-yl]piperazin-1-yl]butan-1-one
CID 88873013

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-1-[6-[(3S,4R,5S)-3,4-dihydroxy-5-[[6-(trifluoromethyl)-2-pyridinyl]amino]piperidin-1-yl]-3-pyridinyl]piperidine-4-carboxamide?
The IUPAC name of N-cyclopentyl-1-[6-[(3S,4R,5S)-3,4-dihydroxy-5-[[6-(trifluoromethyl)-2-pyridinyl]amino]piperidin-1-yl]-3-pyridinyl]piperidine-4-carboxamide (CID 171556711) is N-cyclopentyl-1-[6-[(3S,4R,5S)-3,4-dihydroxy-5-[[6-(trifluoromethyl)-2-pyridinyl]amino]piperidin-1-yl]-3-pyridinyl]piperidine-4-carboxamide.
What is the SMILES notation for N-cyclopentyl-1-[6-[(3S,4R,5S)-3,4-dihydroxy-5-[[6-(trifluoromethyl)-2-pyridinyl]amino]piperidin-1-yl]-3-pyridinyl]piperidine-4-carboxamide?
The canonical SMILES for N-cyclopentyl-1-[6-[(3S,4R,5S)-3,4-dihydroxy-5-[[6-(trifluoromethyl)-2-pyridinyl]amino]piperidin-1-yl]-3-pyridinyl]piperidine-4-carboxamide is O=C(NC1CCCC1)C1CCN(c2ccc(N3C[C@H](Nc4cccc(C(F)(F)F)n4)[C@@H](O)[C@@H](O)C3)nc2)CC1.
What is the InChIKey of N-cyclopentyl-1-[6-[(3S,4R,5S)-3,4-dihydroxy-5-[[6-(trifluoromethyl)-2-pyridinyl]amino]piperidin-1-yl]-3-pyridinyl]piperidine-4-carboxamide?
The InChIKey is UUNJNOVWSPLMME-STWLZBDKSA-N. The full InChI is InChI=1S/C27H35F3N6O3/c28-27(29,30)22-6-3-7-23(34-22)33-20-15-36(16-21(37)25(20)38)24-9-8-19(14-31-24)35-12-10-17(11-13-35)26(39)32-18-4-1-2-5-18/h3,6-9,14,17-18,20-21,25,37-38H,1-2,4-5,10-13,15-16H2,(H,32,39)(H,33,34)/t20-,21-,25+/m0/s1.
What are the key properties of N-cyclopentyl-1-[6-[(3S,4R,5S)-3,4-dihydroxy-5-[[6-(trifluoromethyl)-2-pyridinyl]amino]piperidin-1-yl]-3-pyridinyl]piperidine-4-carboxamide?
N-cyclopentyl-1-[6-[(3S,4R,5S)-3,4-dihydroxy-5-[[6-(trifluoromethyl)-2-pyridinyl]amino]piperidin-1-yl]-3-pyridinyl]piperidine-4-carboxamide has a molecular weight of 548.61 g/mol, XLogP of 2.79, 6 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-1-[6-[(3S,4R,5S)-3,4-dihydroxy-5-[[6-(trifluoromethyl)-2-pyridinyl]amino]piperidin-1-yl]-3-pyridinyl]piperidine-4-carboxamide is sourced from PubChem (CID 171556711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).