6-[1-hydroxy-4-[[(3S)-1-[1-[4-(trifluoromethyl)-2-pyridinyl]piperidine-4-carbonyl]pyrrolidin-3-yl]amino]cyclohexyl]-N-methylpyridine-3-carboxamide

C29H37F3N6O3 — CID 67011321

IUPAC6-[1-hydroxy-4-[[(3S)-1-[1-[4-(trifluoromethyl)-2-pyridinyl]piperidine-4-carbonyl]pyrrolidin-3-yl]amino]cyclohexyl]-N-methylpyridine-3-carboxamide
SMILESCNC(=O)c1ccc(C2(O)CCC(N[C@H]3CCN(C(=O)C4CCN(c5cc(C(F)(F)F)ccn5)CC4)C3)CC2)nc1
InChIInChI=1S/C29H37F3N6O3/c1-33-26(39)20-2-3-24(35-17-20)28(41)10-4-22(5-11-28)36-23-9-15-38(18-23)27(40)19-7-13-37(14-8-19)25-16-21(6-12-34-25)29(30,31)32/h2-3,6,12,16-17,19,22-23,36,41H,4-5,7-11,13-15,18H2,1H3,(H,33,39)/t22?,23-,28?/m0/s1
InChIKeyLGGJCVDYVLVGET-CBQRAPNFSA-N
MW574.65 g/mol
LogP3.09
Rot. Bonds6

About 6-[1-hydroxy-4-[[(3S)-1-[1-[4-(trifluoromethyl)-2-pyridinyl]piperidine-4-carbonyl]pyrrolidin-3-yl]amino]cyclohexyl]-N-methylpyridine-3-carboxamide

6-[1-hydroxy-4-[[(3S)-1-[1-[4-(trifluoromethyl)-2-pyridinyl]piperidine-4-carbonyl]pyrrolidin-3-yl]amino]cyclohexyl]-N-methylpyridine-3-carboxamide (PubChem CID 67011321) has the molecular formula C29H37F3N6O3 and a molecular weight of 574.65 g/mol. Its IUPAC name is 6-[1-hydroxy-4-[[(3S)-1-[1-[4-(trifluoromethyl)-2-pyridinyl]piperidine-4-carbonyl]pyrrolidin-3-yl]amino]cyclohexyl]-N-methylpyridine-3-carboxamide.

Molecular Properties

Compound Name6-[1-hydroxy-4-[[(3S)-1-[1-[4-(trifluoromethyl)-2-pyridinyl]piperidine-4-carbonyl]pyrrolidin-3-yl]amino]cyclohexyl]-N-methylpyridine-3-carboxamide
PubChem CID67011321
Molecular FormulaC29H37F3N6O3
Molecular Weight574.65 g/mol
Exact Mass574.29
IUPAC Name6-[1-hydroxy-4-[[(3S)-1-[1-[4-(trifluoromethyl)-2-pyridinyl]piperidine-4-carbonyl]pyrrolidin-3-yl]amino]cyclohexyl]-N-methylpyridine-3-carboxamide
SMILESCNC(=O)c1ccc(C2(O)CCC(N[C@H]3CCN(C(=O)C4CCN(c5cc(C(F)(F)F)ccn5)CC4)C3)CC2)nc1
InChIInChI=1S/C29H37F3N6O3/c1-33-26(39)20-2-3-24(35-17-20)28(41)10-4-22(5-11-28)36-23-9-15-38(18-23)27(40)19-7-13-37(14-8-19)25-16-21(6-12-34-25)29(30,31)32/h2-3,6,12,16-17,19,22-23,36,41H,4-5,7-11,13-15,18H2,1H3,(H,33,39)/t22?,23-,28?/m0/s1
InChIKeyLGGJCVDYVLVGET-CBQRAPNFSA-N
XLogP3.09
TPSA110.69 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms41
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500574.65
LogP ≤ 53.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 6-[1-hydroxy-4-[[(3S)-1-[1-[4-(trifluoromethyl)-2-pyridinyl]piperidine-4-carbonyl]pyrrolidin-3-yl]amino]cyclohexyl]-N-methylpyridine-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-[1-hydroxy-4-[[(3S)-1-[1-[4-(trifluoromethyl)-2-pyridinyl]piperidine-4-carbonyl]pyrrolidin-3-yl]amino]cyclohexyl]-N-methylpyridine-3-carboxamide?
The IUPAC name of 6-[1-hydroxy-4-[[(3S)-1-[1-[4-(trifluoromethyl)-2-pyridinyl]piperidine-4-carbonyl]pyrrolidin-3-yl]amino]cyclohexyl]-N-methylpyridine-3-carboxamide (CID 67011321) is 6-[1-hydroxy-4-[[(3S)-1-[1-[4-(trifluoromethyl)-2-pyridinyl]piperidine-4-carbonyl]pyrrolidin-3-yl]amino]cyclohexyl]-N-methylpyridine-3-carboxamide.
What is the SMILES notation for 6-[1-hydroxy-4-[[(3S)-1-[1-[4-(trifluoromethyl)-2-pyridinyl]piperidine-4-carbonyl]pyrrolidin-3-yl]amino]cyclohexyl]-N-methylpyridine-3-carboxamide?
The canonical SMILES for 6-[1-hydroxy-4-[[(3S)-1-[1-[4-(trifluoromethyl)-2-pyridinyl]piperidine-4-carbonyl]pyrrolidin-3-yl]amino]cyclohexyl]-N-methylpyridine-3-carboxamide is CNC(=O)c1ccc(C2(O)CCC(N[C@H]3CCN(C(=O)C4CCN(c5cc(C(F)(F)F)ccn5)CC4)C3)CC2)nc1.
What is the InChIKey of 6-[1-hydroxy-4-[[(3S)-1-[1-[4-(trifluoromethyl)-2-pyridinyl]piperidine-4-carbonyl]pyrrolidin-3-yl]amino]cyclohexyl]-N-methylpyridine-3-carboxamide?
The InChIKey is LGGJCVDYVLVGET-CBQRAPNFSA-N. The full InChI is InChI=1S/C29H37F3N6O3/c1-33-26(39)20-2-3-24(35-17-20)28(41)10-4-22(5-11-28)36-23-9-15-38(18-23)27(40)19-7-13-37(14-8-19)25-16-21(6-12-34-25)29(30,31)32/h2-3,6,12,16-17,19,22-23,36,41H,4-5,7-11,13-15,18H2,1H3,(H,33,39)/t22?,23-,28?/m0/s1.
What are the key properties of 6-[1-hydroxy-4-[[(3S)-1-[1-[4-(trifluoromethyl)-2-pyridinyl]piperidine-4-carbonyl]pyrrolidin-3-yl]amino]cyclohexyl]-N-methylpyridine-3-carboxamide?
6-[1-hydroxy-4-[[(3S)-1-[1-[4-(trifluoromethyl)-2-pyridinyl]piperidine-4-carbonyl]pyrrolidin-3-yl]amino]cyclohexyl]-N-methylpyridine-3-carboxamide has a molecular weight of 574.65 g/mol, XLogP of 3.09, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1-hydroxy-4-[[(3S)-1-[1-[4-(trifluoromethyl)-2-pyridinyl]piperidine-4-carbonyl]pyrrolidin-3-yl]amino]cyclohexyl]-N-methylpyridine-3-carboxamide is sourced from PubChem (CID 67011321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).