5-[(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)methyl]-N-(pyridin-3-ylmethyl)-N-[[3-(trifluoromethyl)phenyl]methyl]furan-2-carboxamide

C35H37F3N2O2 — CID 21045816

IUPAC5-[(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)methyl]-N-(pyridin-3-ylmethyl)-N-[[3-(trifluoromethyl)phenyl]methyl]furan-2-carboxamide
SMILESCc1cc2c(cc1Cc1ccc(C(=O)N(Cc3cccnc3)Cc3cccc(C(F)(F)F)c3)o1)C(C)(C)CCC2(C)C
InChIInChI=1S/C35H37F3N2O2/c1-23-16-29-30(34(4,5)14-13-33(29,2)3)19-26(23)18-28-11-12-31(42-28)32(41)40(22-25-9-7-15-39-20-25)21-24-8-6-10-27(17-24)35(36,37)38/h6-12,15-17,19-20H,13-14,18,21-22H2,1-5H3
InChIKeyFGLWZPYPMHDUCS-UHFFFAOYSA-N
MW574.69 g/mol
LogP8.78
Rot. Bonds7

About 5-[(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)methyl]-N-(pyridin-3-ylmethyl)-N-[[3-(trifluoromethyl)phenyl]methyl]furan-2-carboxamide

5-[(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)methyl]-N-(pyridin-3-ylmethyl)-N-[[3-(trifluoromethyl)phenyl]methyl]furan-2-carboxamide (PubChem CID 21045816) has the molecular formula C35H37F3N2O2 and a molecular weight of 574.69 g/mol. Its IUPAC name is 5-[(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)methyl]-N-(pyridin-3-ylmethyl)-N-[[3-(trifluoromethyl)phenyl]methyl]furan-2-carboxamide.

Molecular Properties

Compound Name5-[(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)methyl]-N-(pyridin-3-ylmethyl)-N-[[3-(trifluoromethyl)phenyl]methyl]furan-2-carboxamide
PubChem CID21045816
Molecular FormulaC35H37F3N2O2
Molecular Weight574.69 g/mol
Exact Mass574.28
IUPAC Name5-[(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)methyl]-N-(pyridin-3-ylmethyl)-N-[[3-(trifluoromethyl)phenyl]methyl]furan-2-carboxamide
SMILESCc1cc2c(cc1Cc1ccc(C(=O)N(Cc3cccnc3)Cc3cccc(C(F)(F)F)c3)o1)C(C)(C)CCC2(C)C
InChIInChI=1S/C35H37F3N2O2/c1-23-16-29-30(34(4,5)14-13-33(29,2)3)19-26(23)18-28-11-12-31(42-28)32(41)40(22-25-9-7-15-39-20-25)21-24-8-6-10-27(17-24)35(36,37)38/h6-12,15-17,19-20H,13-14,18,21-22H2,1-5H3
InChIKeyFGLWZPYPMHDUCS-UHFFFAOYSA-N
XLogP8.78
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500574.69
LogP ≤ 58.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 5-[(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)methyl]-N-(pyridin-3-ylmethyl)-N-[[3-(trifluoromethyl)phenyl]methyl]furan-2-carboxamide with MolForge

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Related Compounds

3,5,6-trimethyl-N-(pyridin-4-ylmethyl)-1-benzofuran-2-carboxamide
CID 975422
N-[(5-methylpyrazin-2-yl)methyl]-5-[(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)methyl]furan-2-carboxamide
CID 9910626
5-(3,5,5,8,8-Pentamethyl-5,6,7,8-tetrahydro-naphthalen-2-ylmethyl)-furan-2-carboxylic acid 4-[(5-trifluoromethyl-pyrimidin-2-ylamino)-methyl]-benzylamide
CID 21045807
5-[(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)methyl]-N-[[3-[(pyrimidin-2-ylamino)methyl]cyclohexyl]methyl]furan-2-carboxamide
CID 21045817
5-(3,5,5,8,8-Pentamethyl-5,6,7,8-tetrahydro-naphthalen-2-ylmethyl)-furan-2-carboxylic acid 3-(pyrimidin-2-ylaminomethyl)-benzylamide
CID 21045818
5-[(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)methyl]-N-[[4-[(pyrimidin-2-ylamino)methyl]cyclohexyl]methyl]furan-2-carboxamide
CID 21045833
5-(3,5,5,8,8-Pentamethyl-5,6,7,8-tetrahydro-naphthalen-2-ylmethyl)-furan-2-carboxylic acid 4-(pyrimidin-2-ylaminomethyl)-benzylamide
CID 21045834
5-(3,5,5,8,8-Pentamethyl-5,6,7,8-tetrahydro-naphthalen-2-ylmethyl)-furan-2-carboxylic acid 3-{[2-(2-methoxy-ethylamino)-pyrimidin-4-ylamino]-methyl}-benzylamide
CID 21047516
5-(3,5,5,8,8-Pentamethyl-5,6,7,8-tetrahydro-naphthalen-2-ylmethyl)-furan-2-carboxylic acid 3-{[4-(3-methoxy-propylamino)-pyrimidin-2-ylamino]-methyl}-benzylamide
CID 21047534
5-(3,5,5,8,8-Pentamethyl-5,6,7,8-tetrahydro-naphthalen-2-ylmethyl)-furan-2-carboxylic acid 3-[(5-fluoro-4-methyl-pyrimidin-2-ylamino)-methyl]-benzylamide
CID 21047538
5-(3,5,5,8,8-Pentamethyl-5,6,7,8-tetrahydro-naphthalen-2-ylmethyl)-furan-2-carboxylic acid 3-[(4-morpholin-4-yl-pyrimidin-2-ylamino)-methyl]-benzylamide
CID 21047583
Nampt-IN-8
CID 153527298

Frequently Asked Questions

What is the IUPAC name of 5-[(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)methyl]-N-(pyridin-3-ylmethyl)-N-[[3-(trifluoromethyl)phenyl]methyl]furan-2-carboxamide?
The IUPAC name of 5-[(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)methyl]-N-(pyridin-3-ylmethyl)-N-[[3-(trifluoromethyl)phenyl]methyl]furan-2-carboxamide (CID 21045816) is 5-[(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)methyl]-N-(pyridin-3-ylmethyl)-N-[[3-(trifluoromethyl)phenyl]methyl]furan-2-carboxamide.
What is the SMILES notation for 5-[(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)methyl]-N-(pyridin-3-ylmethyl)-N-[[3-(trifluoromethyl)phenyl]methyl]furan-2-carboxamide?
The canonical SMILES for 5-[(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)methyl]-N-(pyridin-3-ylmethyl)-N-[[3-(trifluoromethyl)phenyl]methyl]furan-2-carboxamide is Cc1cc2c(cc1Cc1ccc(C(=O)N(Cc3cccnc3)Cc3cccc(C(F)(F)F)c3)o1)C(C)(C)CCC2(C)C.
What is the InChIKey of 5-[(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)methyl]-N-(pyridin-3-ylmethyl)-N-[[3-(trifluoromethyl)phenyl]methyl]furan-2-carboxamide?
The InChIKey is FGLWZPYPMHDUCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H37F3N2O2/c1-23-16-29-30(34(4,5)14-13-33(29,2)3)19-26(23)18-28-11-12-31(42-28)32(41)40(22-25-9-7-15-39-20-25)21-24-8-6-10-27(17-24)35(36,37)38/h6-12,15-17,19-20H,13-14,18,21-22H2,1-5H3.
What are the key properties of 5-[(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)methyl]-N-(pyridin-3-ylmethyl)-N-[[3-(trifluoromethyl)phenyl]methyl]furan-2-carboxamide?
5-[(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)methyl]-N-(pyridin-3-ylmethyl)-N-[[3-(trifluoromethyl)phenyl]methyl]furan-2-carboxamide has a molecular weight of 574.69 g/mol, XLogP of 8.78, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)methyl]-N-(pyridin-3-ylmethyl)-N-[[3-(trifluoromethyl)phenyl]methyl]furan-2-carboxamide is sourced from PubChem (CID 21045816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).