ethane;[3-[(3-methoxyoxan-4-yl)amino]cyclopentyl]-[4-[3-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridin-1-yl]methanone

C26H37F3N2O3 — CID 143164077

IUPACethane;[3-[(3-methoxyoxan-4-yl)amino]cyclopentyl]-[4-[3-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridin-1-yl]methanone
SMILESCC.COC1COCCC1NC1CCC(C(=O)N2CC=C(c3cccc(C(F)(F)F)c3)CC2)C1
InChIInChI=1S/C24H31F3N2O3.C2H6/c1-31-22-15-32-12-9-21(22)28-20-6-5-18(14-20)23(30)29-10-7-16(8-11-29)17-3-2-4-19(13-17)24(25,26)27;1-2/h2-4,7,13,18,20-22,28H,5-6,8-12,14-15H2,1H3;1-2H3
InChIKeyAVWSXKIGPLKHGO-UHFFFAOYSA-N
MW482.59 g/mol
LogP4.91
Rot. Bonds5

About ethane;[3-[(3-methoxyoxan-4-yl)amino]cyclopentyl]-[4-[3-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridin-1-yl]methanone

ethane;[3-[(3-methoxyoxan-4-yl)amino]cyclopentyl]-[4-[3-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridin-1-yl]methanone (PubChem CID 143164077) has the molecular formula C26H37F3N2O3 and a molecular weight of 482.59 g/mol. Its IUPAC name is ethane;[3-[(3-methoxyoxan-4-yl)amino]cyclopentyl]-[4-[3-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridin-1-yl]methanone.

Molecular Properties

Compound Nameethane;[3-[(3-methoxyoxan-4-yl)amino]cyclopentyl]-[4-[3-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridin-1-yl]methanone
PubChem CID143164077
Molecular FormulaC26H37F3N2O3
Molecular Weight482.59 g/mol
Exact Mass482.28
IUPAC Nameethane;[3-[(3-methoxyoxan-4-yl)amino]cyclopentyl]-[4-[3-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridin-1-yl]methanone
SMILESCC.COC1COCCC1NC1CCC(C(=O)N2CC=C(c3cccc(C(F)(F)F)c3)CC2)C1
InChIInChI=1S/C24H31F3N2O3.C2H6/c1-31-22-15-32-12-9-21(22)28-20-6-5-18(14-20)23(30)29-10-7-16(8-11-29)17-3-2-4-19(13-17)24(25,26)27;1-2/h2-4,7,13,18,20-22,28H,5-6,8-12,14-15H2,1H3;1-2H3
InChIKeyAVWSXKIGPLKHGO-UHFFFAOYSA-N
XLogP4.91
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.59
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[3-[(3-ethoxyoxan-4-yl)amino]cyclopentyl]-[4-[3-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridin-1-yl]methanone;propane
CID 143164038
[(3R)-3-[(3-ethoxyoxan-4-yl)amino]-1-propan-2-ylcyclopentyl]-[4-[3-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridin-1-yl]methanone
CID 90968671
[(1S)-3-[[(4S)-3-methoxyoxan-4-yl]amino]cyclopentyl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone;propane
CID 143046575
[3-[(3-methoxyoxan-4-yl)amino]cyclopentyl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone;2-methylpropane
CID 143046584
[3-[(3-methoxyoxan-4-yl)amino]-1-propan-2-ylcyclopentyl]-[4-[5-(trifluoromethyl)-3-pyridinyl]-3,6-dihydro-2H-pyridin-1-yl]methanone
CID 76621490
[8-amino-3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]-[3-[(3-methoxyoxan-4-yl)amino]cyclopentyl]methanone
CID 169158453
[3-[(3-ethoxyoxan-4-yl)amino]cyclopentyl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone;propane
CID 142976977
ethane;[3-[(3-methyloxan-4-yl)amino]cyclopentyl]-[7-(trifluoromethyl)-3,4-dihydro-1H-isoquinolin-2-yl]methanone;propane
CID 142976905
2,2-dimethyl-1-[4-[3-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridin-1-yl]propan-1-one
CID 57336606
[1-methoxy-3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-1-ium-6-yl]-[(1S)-3-[[(3R,4S)-3-methyloxan-4-yl]amino]cyclopentyl]methanone;propane
CID 142826670
[(1S,3R)-3-(oxan-4-ylamino)cyclopentyl]-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone
CID 129171652
[(1S,3R)-3-[[(3R,4R)-3-methoxyoxan-4-yl]amino]-1-propan-2-ylcyclopentyl]-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone
CID 53326701

Frequently Asked Questions

What is the IUPAC name of ethane;[3-[(3-methoxyoxan-4-yl)amino]cyclopentyl]-[4-[3-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridin-1-yl]methanone?
The IUPAC name of ethane;[3-[(3-methoxyoxan-4-yl)amino]cyclopentyl]-[4-[3-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridin-1-yl]methanone (CID 143164077) is ethane;[3-[(3-methoxyoxan-4-yl)amino]cyclopentyl]-[4-[3-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridin-1-yl]methanone.
What is the SMILES notation for ethane;[3-[(3-methoxyoxan-4-yl)amino]cyclopentyl]-[4-[3-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridin-1-yl]methanone?
The canonical SMILES for ethane;[3-[(3-methoxyoxan-4-yl)amino]cyclopentyl]-[4-[3-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridin-1-yl]methanone is CC.COC1COCCC1NC1CCC(C(=O)N2CC=C(c3cccc(C(F)(F)F)c3)CC2)C1.
What is the InChIKey of ethane;[3-[(3-methoxyoxan-4-yl)amino]cyclopentyl]-[4-[3-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridin-1-yl]methanone?
The InChIKey is AVWSXKIGPLKHGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31F3N2O3.C2H6/c1-31-22-15-32-12-9-21(22)28-20-6-5-18(14-20)23(30)29-10-7-16(8-11-29)17-3-2-4-19(13-17)24(25,26)27;1-2/h2-4,7,13,18,20-22,28H,5-6,8-12,14-15H2,1H3;1-2H3.
What are the key properties of ethane;[3-[(3-methoxyoxan-4-yl)amino]cyclopentyl]-[4-[3-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridin-1-yl]methanone?
ethane;[3-[(3-methoxyoxan-4-yl)amino]cyclopentyl]-[4-[3-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridin-1-yl]methanone has a molecular weight of 482.59 g/mol, XLogP of 4.91, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;[3-[(3-methoxyoxan-4-yl)amino]cyclopentyl]-[4-[3-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridin-1-yl]methanone is sourced from PubChem (CID 143164077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).