4-cyclopropyl-6-methyl-N-(oxan-4-ylmethyl)pyridine-3-carboxamide;ethane;1-methyl-3-(trifluoromethoxy)benzene

C26H35F3N2O3 — CID 143086586

IUPAC4-cyclopropyl-6-methyl-N-(oxan-4-ylmethyl)pyridine-3-carboxamide;ethane;1-methyl-3-(trifluoromethoxy)benzene
SMILESCC.Cc1cc(C2CC2)c(C(=O)NCC2CCOCC2)cn1.Cc1cccc(OC(F)(F)F)c1
InChIInChI=1S/C16H22N2O2.C8H7F3O.C2H6/c1-11-8-14(13-2-3-13)15(10-17-11)16(19)18-9-12-4-6-20-7-5-12;1-6-3-2-4-7(5-6)12-8(9,10)11;1-2/h8,10,12-13H,2-7,9H2,1H3,(H,18,19);2-5H,1H3;1-2H3
InChIKeyGNKQCOTVURTGEM-UHFFFAOYSA-N
MW480.57 g/mol
LogP6.34
Rot. Bonds5

About 4-cyclopropyl-6-methyl-N-(oxan-4-ylmethyl)pyridine-3-carboxamide;ethane;1-methyl-3-(trifluoromethoxy)benzene

4-cyclopropyl-6-methyl-N-(oxan-4-ylmethyl)pyridine-3-carboxamide;ethane;1-methyl-3-(trifluoromethoxy)benzene (PubChem CID 143086586) has the molecular formula C26H35F3N2O3 and a molecular weight of 480.57 g/mol. Its IUPAC name is 4-cyclopropyl-6-methyl-N-(oxan-4-ylmethyl)pyridine-3-carboxamide;ethane;1-methyl-3-(trifluoromethoxy)benzene.

Molecular Properties

Compound Name4-cyclopropyl-6-methyl-N-(oxan-4-ylmethyl)pyridine-3-carboxamide;ethane;1-methyl-3-(trifluoromethoxy)benzene
PubChem CID143086586
Molecular FormulaC26H35F3N2O3
Molecular Weight480.57 g/mol
Exact Mass480.26
IUPAC Name4-cyclopropyl-6-methyl-N-(oxan-4-ylmethyl)pyridine-3-carboxamide;ethane;1-methyl-3-(trifluoromethoxy)benzene
SMILESCC.Cc1cc(C2CC2)c(C(=O)NCC2CCOCC2)cn1.Cc1cccc(OC(F)(F)F)c1
InChIInChI=1S/C16H22N2O2.C8H7F3O.C2H6/c1-11-8-14(13-2-3-13)15(10-17-11)16(19)18-9-12-4-6-20-7-5-12;1-6-3-2-4-7(5-6)12-8(9,10)11;1-2/h8,10,12-13H,2-7,9H2,1H3,(H,18,19);2-5H,1H3;1-2H3
InChIKeyGNKQCOTVURTGEM-UHFFFAOYSA-N
XLogP6.34
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500480.57
LogP ≤ 56.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-[2-bromo-4-(trifluoromethoxy)anilino]-4-cyclopropyl-N-(oxan-4-ylmethyl)pyridine-3-carboxamide
CID 59843529
N-(oxan-4-ylmethyl)-4-propan-2-yl-6-[3-(trifluoromethoxy)anilino]pyridine-3-carboxamide
CID 58731842
6-methyl-N-(oxan-4-ylmethyl)-1-[3-(trifluoromethoxy)anilino]pyrrolo[1,2-a]pyrazine-4-carboxamide
CID 24739686
6-(4-bromo-2-fluoroanilino)-4-cyclopropyl-N-(oxan-4-ylmethyl)pyridine-3-carboxamide
CID 59843503
2-amino-5-methyl-N-(oxan-4-ylmethyl)benzamide
CID 63707297
N-(cyclopentylmethyl)-4-cyclopropyl-6-[3-(trifluoromethyl)anilino]pyridine-3-carboxamide
CID 11750036
6-(4-chloro-2-methylanilino)-N-(oxan-4-ylmethyl)-4-(trifluoromethyl)pyridine-3-carboxamide
CID 44570575
4-chloro-N-(cyclopropylmethyl)-6-methylpyridine-3-carboxamide
CID 81225290
2-(3-cyanoanilino)-N-(oxan-4-ylmethyl)-4-(trifluoromethyl)pyrimidine-5-carboxamide
CID 10092677
N-[[3-(trifluoromethoxy)phenyl]methyl]oxolane-3-carboxamide
CID 74236468
6-(3-methoxyanilino)-N-(oxan-4-ylmethyl)-4-propan-2-ylpyridine-3-carboxamide
CID 44569924
6-[3,5-bis(trifluoromethyl)anilino]-4-ethyl-N-(oxan-4-ylmethyl)pyridine-3-carboxamide;ethane
CID 142877788

Frequently Asked Questions

What is the IUPAC name of 4-cyclopropyl-6-methyl-N-(oxan-4-ylmethyl)pyridine-3-carboxamide;ethane;1-methyl-3-(trifluoromethoxy)benzene?
The IUPAC name of 4-cyclopropyl-6-methyl-N-(oxan-4-ylmethyl)pyridine-3-carboxamide;ethane;1-methyl-3-(trifluoromethoxy)benzene (CID 143086586) is 4-cyclopropyl-6-methyl-N-(oxan-4-ylmethyl)pyridine-3-carboxamide;ethane;1-methyl-3-(trifluoromethoxy)benzene.
What is the SMILES notation for 4-cyclopropyl-6-methyl-N-(oxan-4-ylmethyl)pyridine-3-carboxamide;ethane;1-methyl-3-(trifluoromethoxy)benzene?
The canonical SMILES for 4-cyclopropyl-6-methyl-N-(oxan-4-ylmethyl)pyridine-3-carboxamide;ethane;1-methyl-3-(trifluoromethoxy)benzene is CC.Cc1cc(C2CC2)c(C(=O)NCC2CCOCC2)cn1.Cc1cccc(OC(F)(F)F)c1.
What is the InChIKey of 4-cyclopropyl-6-methyl-N-(oxan-4-ylmethyl)pyridine-3-carboxamide;ethane;1-methyl-3-(trifluoromethoxy)benzene?
The InChIKey is GNKQCOTVURTGEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2.C8H7F3O.C2H6/c1-11-8-14(13-2-3-13)15(10-17-11)16(19)18-9-12-4-6-20-7-5-12;1-6-3-2-4-7(5-6)12-8(9,10)11;1-2/h8,10,12-13H,2-7,9H2,1H3,(H,18,19);2-5H,1H3;1-2H3.
What are the key properties of 4-cyclopropyl-6-methyl-N-(oxan-4-ylmethyl)pyridine-3-carboxamide;ethane;1-methyl-3-(trifluoromethoxy)benzene?
4-cyclopropyl-6-methyl-N-(oxan-4-ylmethyl)pyridine-3-carboxamide;ethane;1-methyl-3-(trifluoromethoxy)benzene has a molecular weight of 480.57 g/mol, XLogP of 6.34, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropyl-6-methyl-N-(oxan-4-ylmethyl)pyridine-3-carboxamide;ethane;1-methyl-3-(trifluoromethoxy)benzene is sourced from PubChem (CID 143086586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).