1-[3-[(E)-3-[4-(4-acetyl-2,6-difluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-2-methylbut-1-enyl]-2-methyl-4-pyridinyl]-4-(methylamino)pyridin-2-one;N-butan-2-yl-N,2-dipropylpentan-1-amine;ethane;3-(5-ethyl-2-methylphenyl)-3-methylbutan-2-one;5-hydroxy-N,2-dimethylpentanamide

C68H106F2N6O5 — CID 177356256

IUPAC1-[3-[(E)-3-[4-(4-acetyl-2,6-difluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-2-methylbut-1-enyl]-2-methyl-4-pyridinyl]-4-(methylamino)pyridin-2-one;N-butan-2-yl-N,2-dipropylpentan-1-amine;ethane;3-(5-ethyl-2-methylphenyl)-3-methylbutan-2-one;5-hydroxy-N,2-dimethylpentanamide
SMILESCC.CCCC(CCC)CN(CCC)C(C)CC.CCc1ccc(C)c(C(C)(C)C(C)=O)c1.CNC(=O)C(C)CCCO.CNc1ccn(-c2ccnc(C)c2/C=C(\C)C(C)N2CC=C(c3c(F)cc(C(C)=O)cc3F)CC2)c(=O)c1
InChIInChI=1S/C30H32F2N4O2.C15H33N.C14H20O.C7H15NO2.C2H6/c1-18(14-25-19(2)34-10-6-28(25)36-13-9-24(33-5)17-29(36)38)20(3)35-11-7-22(8-12-35)30-26(31)15-23(21(4)37)16-27(30)32;1-6-10-15(11-7-2)13-16(12-8-3)14(5)9-4;1-6-12-8-7-10(2)13(9-12)14(4,5)11(3)15;1-6(4-3-5-9)7(10)8-2;1-2/h6-7,9-10,13-17,20,33H,8,11-12H2,1-5H3;14-15H,6-13H2,1-5H3;7-9H,6H2,1-5H3;6,9H,3-5H2,1-2H3,(H,8,10);1-2H3/b18-14+;;;;
InChIKeyUIEJVJYHWCMRFO-FLOJKRJRSA-N
MW1125.63 g/mol
LogP14.95
Rot. Bonds24

About 1-[3-[(E)-3-[4-(4-acetyl-2,6-difluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-2-methylbut-1-enyl]-2-methyl-4-pyridinyl]-4-(methylamino)pyridin-2-one;N-butan-2-yl-N,2-dipropylpentan-1-amine;ethane;3-(5-ethyl-2-methylphenyl)-3-methylbutan-2-one;5-hydroxy-N,2-dimethylpentanamide

1-[3-[(E)-3-[4-(4-acetyl-2,6-difluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-2-methylbut-1-enyl]-2-methyl-4-pyridinyl]-4-(methylamino)pyridin-2-one;N-butan-2-yl-N,2-dipropylpentan-1-amine;ethane;3-(5-ethyl-2-methylphenyl)-3-methylbutan-2-one;5-hydroxy-N,2-dimethylpentanamide (PubChem CID 177356256) has the molecular formula C68H106F2N6O5 and a molecular weight of 1125.63 g/mol. Its IUPAC name is 1-[3-[(E)-3-[4-(4-acetyl-2,6-difluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-2-methylbut-1-enyl]-2-methyl-4-pyridinyl]-4-(methylamino)pyridin-2-one;N-butan-2-yl-N,2-dipropylpentan-1-amine;ethane;3-(5-ethyl-2-methylphenyl)-3-methylbutan-2-one;5-hydroxy-N,2-dimethylpentanamide.

Molecular Properties

Compound Name1-[3-[(E)-3-[4-(4-acetyl-2,6-difluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-2-methylbut-1-enyl]-2-methyl-4-pyridinyl]-4-(methylamino)pyridin-2-one;N-butan-2-yl-N,2-dipropylpentan-1-amine;ethane;3-(5-ethyl-2-methylphenyl)-3-methylbutan-2-one;5-hydroxy-N,2-dimethylpentanamide
PubChem CID177356256
Molecular FormulaC68H106F2N6O5
Molecular Weight1125.63 g/mol
Exact Mass1124.82
IUPAC Name1-[3-[(E)-3-[4-(4-acetyl-2,6-difluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-2-methylbut-1-enyl]-2-methyl-4-pyridinyl]-4-(methylamino)pyridin-2-one;N-butan-2-yl-N,2-dipropylpentan-1-amine;ethane;3-(5-ethyl-2-methylphenyl)-3-methylbutan-2-one;5-hydroxy-N,2-dimethylpentanamide
SMILESCC.CCCC(CCC)CN(CCC)C(C)CC.CCc1ccc(C)c(C(C)(C)C(C)=O)c1.CNC(=O)C(C)CCCO.CNc1ccn(-c2ccnc(C)c2/C=C(\C)C(C)N2CC=C(c3c(F)cc(C(C)=O)cc3F)CC2)c(=O)c1
InChIInChI=1S/C30H32F2N4O2.C15H33N.C14H20O.C7H15NO2.C2H6/c1-18(14-25-19(2)34-10-6-28(25)36-13-9-24(33-5)17-29(36)38)20(3)35-11-7-22(8-12-35)30-26(31)15-23(21(4)37)16-27(30)32;1-6-10-15(11-7-2)13-16(12-8-3)14(5)9-4;1-6-12-8-7-10(2)13(9-12)14(4,5)11(3)15;1-6(4-3-5-9)7(10)8-2;1-2/h6-7,9-10,13-17,20,33H,8,11-12H2,1-5H3;14-15H,6-13H2,1-5H3;7-9H,6H2,1-5H3;6,9H,3-5H2,1-2H3,(H,8,10);1-2H3/b18-14+;;;;
InChIKeyUIEJVJYHWCMRFO-FLOJKRJRSA-N
XLogP14.95
TPSA136.87 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds24
Heavy Atoms81
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001125.63
LogP ≤ 514.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

Analyze 1-[3-[(E)-3-[4-(4-acetyl-2,6-difluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-2-methylbut-1-enyl]-2-methyl-4-pyridinyl]-4-(methylamino)pyridin-2-one;N-butan-2-yl-N,2-dipropylpentan-1-amine;ethane;3-(5-ethyl-2-methylphenyl)-3-methylbutan-2-one;5-hydroxy-N,2-dimethylpentanamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[3-[(E)-3-[4-(4-acetyl-2,6-difluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-2-methylbut-1-enyl]-2-methyl-4-pyridinyl]-4-(methylamino)pyridin-2-one;N-butan-2-yl-N,2-dipropylpentan-1-amine;ethane;3-(5-ethyl-2-methylphenyl)-3-methylbutan-2-one;5-hydroxy-N,2-dimethylpentanamide?
The IUPAC name of 1-[3-[(E)-3-[4-(4-acetyl-2,6-difluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-2-methylbut-1-enyl]-2-methyl-4-pyridinyl]-4-(methylamino)pyridin-2-one;N-butan-2-yl-N,2-dipropylpentan-1-amine;ethane;3-(5-ethyl-2-methylphenyl)-3-methylbutan-2-one;5-hydroxy-N,2-dimethylpentanamide (CID 177356256) is 1-[3-[(E)-3-[4-(4-acetyl-2,6-difluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-2-methylbut-1-enyl]-2-methyl-4-pyridinyl]-4-(methylamino)pyridin-2-one;N-butan-2-yl-N,2-dipropylpentan-1-amine;ethane;3-(5-ethyl-2-methylphenyl)-3-methylbutan-2-one;5-hydroxy-N,2-dimethylpentanamide.
What is the SMILES notation for 1-[3-[(E)-3-[4-(4-acetyl-2,6-difluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-2-methylbut-1-enyl]-2-methyl-4-pyridinyl]-4-(methylamino)pyridin-2-one;N-butan-2-yl-N,2-dipropylpentan-1-amine;ethane;3-(5-ethyl-2-methylphenyl)-3-methylbutan-2-one;5-hydroxy-N,2-dimethylpentanamide?
The canonical SMILES for 1-[3-[(E)-3-[4-(4-acetyl-2,6-difluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-2-methylbut-1-enyl]-2-methyl-4-pyridinyl]-4-(methylamino)pyridin-2-one;N-butan-2-yl-N,2-dipropylpentan-1-amine;ethane;3-(5-ethyl-2-methylphenyl)-3-methylbutan-2-one;5-hydroxy-N,2-dimethylpentanamide is CC.CCCC(CCC)CN(CCC)C(C)CC.CCc1ccc(C)c(C(C)(C)C(C)=O)c1.CNC(=O)C(C)CCCO.CNc1ccn(-c2ccnc(C)c2/C=C(\C)C(C)N2CC=C(c3c(F)cc(C(C)=O)cc3F)CC2)c(=O)c1.
What is the InChIKey of 1-[3-[(E)-3-[4-(4-acetyl-2,6-difluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-2-methylbut-1-enyl]-2-methyl-4-pyridinyl]-4-(methylamino)pyridin-2-one;N-butan-2-yl-N,2-dipropylpentan-1-amine;ethane;3-(5-ethyl-2-methylphenyl)-3-methylbutan-2-one;5-hydroxy-N,2-dimethylpentanamide?
The InChIKey is UIEJVJYHWCMRFO-FLOJKRJRSA-N. The full InChI is InChI=1S/C30H32F2N4O2.C15H33N.C14H20O.C7H15NO2.C2H6/c1-18(14-25-19(2)34-10-6-28(25)36-13-9-24(33-5)17-29(36)38)20(3)35-11-7-22(8-12-35)30-26(31)15-23(21(4)37)16-27(30)32;1-6-10-15(11-7-2)13-16(12-8-3)14(5)9-4;1-6-12-8-7-10(2)13(9-12)14(4,5)11(3)15;1-6(4-3-5-9)7(10)8-2;1-2/h6-7,9-10,13-17,20,33H,8,11-12H2,1-5H3;14-15H,6-13H2,1-5H3;7-9H,6H2,1-5H3;6,9H,3-5H2,1-2H3,(H,8,10);1-2H3/b18-14+;;;;.
What are the key properties of 1-[3-[(E)-3-[4-(4-acetyl-2,6-difluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-2-methylbut-1-enyl]-2-methyl-4-pyridinyl]-4-(methylamino)pyridin-2-one;N-butan-2-yl-N,2-dipropylpentan-1-amine;ethane;3-(5-ethyl-2-methylphenyl)-3-methylbutan-2-one;5-hydroxy-N,2-dimethylpentanamide?
1-[3-[(E)-3-[4-(4-acetyl-2,6-difluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-2-methylbut-1-enyl]-2-methyl-4-pyridinyl]-4-(methylamino)pyridin-2-one;N-butan-2-yl-N,2-dipropylpentan-1-amine;ethane;3-(5-ethyl-2-methylphenyl)-3-methylbutan-2-one;5-hydroxy-N,2-dimethylpentanamide has a molecular weight of 1125.63 g/mol, XLogP of 14.95, 24 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[(E)-3-[4-(4-acetyl-2,6-difluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-2-methylbut-1-enyl]-2-methyl-4-pyridinyl]-4-(methylamino)pyridin-2-one;N-butan-2-yl-N,2-dipropylpentan-1-amine;ethane;3-(5-ethyl-2-methylphenyl)-3-methylbutan-2-one;5-hydroxy-N,2-dimethylpentanamide is sourced from PubChem (CID 177356256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).