N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-5-[[(2R)-2,6-dimethylpiperidin-4-yl]-ethylamino]-6-methyl-3-(trifluoromethyl)cyclohexa-1,3-diene-1-carboxamide

C26H37F3N4O2 — CID 70913335

IUPACN-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-5-[[(2R)-2,6-dimethylpiperidin-4-yl]-ethylamino]-6-methyl-3-(trifluoromethyl)cyclohexa-1,3-diene-1-carboxamide
SMILESCCN(C1CC(C)N[C@H](C)C1)C1C=C(C(F)(F)F)C=C(C(=O)NCc2c(C)cc(C)[nH]c2=O)C1C
InChIInChI=1S/C26H37F3N4O2/c1-7-33(20-9-16(4)31-17(5)10-20)23-12-19(26(27,28)29)11-21(18(23)6)24(34)30-13-22-14(2)8-15(3)32-25(22)35/h8,11-12,16-18,20,23,31H,7,9-10,13H2,1-6H3,(H,30,34)(H,32,35)/t16-,17?,18?,20?,23?/m1/s1
InChIKeyGUPJUEPOBNLULE-KVGVQVFUSA-N
MW494.60 g/mol
LogP3.89
Rot. Bonds6

About N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-5-[[(2R)-2,6-dimethylpiperidin-4-yl]-ethylamino]-6-methyl-3-(trifluoromethyl)cyclohexa-1,3-diene-1-carboxamide

N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-5-[[(2R)-2,6-dimethylpiperidin-4-yl]-ethylamino]-6-methyl-3-(trifluoromethyl)cyclohexa-1,3-diene-1-carboxamide (PubChem CID 70913335) has the molecular formula C26H37F3N4O2 and a molecular weight of 494.60 g/mol. Its IUPAC name is N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-5-[[(2R)-2,6-dimethylpiperidin-4-yl]-ethylamino]-6-methyl-3-(trifluoromethyl)cyclohexa-1,3-diene-1-carboxamide.

Molecular Properties

Compound NameN-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-5-[[(2R)-2,6-dimethylpiperidin-4-yl]-ethylamino]-6-methyl-3-(trifluoromethyl)cyclohexa-1,3-diene-1-carboxamide
PubChem CID70913335
Molecular FormulaC26H37F3N4O2
Molecular Weight494.60 g/mol
Exact Mass494.29
IUPAC NameN-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-5-[[(2R)-2,6-dimethylpiperidin-4-yl]-ethylamino]-6-methyl-3-(trifluoromethyl)cyclohexa-1,3-diene-1-carboxamide
SMILESCCN(C1CC(C)N[C@H](C)C1)C1C=C(C(F)(F)F)C=C(C(=O)NCc2c(C)cc(C)[nH]c2=O)C1C
InChIInChI=1S/C26H37F3N4O2/c1-7-33(20-9-16(4)31-17(5)10-20)23-12-19(26(27,28)29)11-21(18(23)6)24(34)30-13-22-14(2)8-15(3)32-25(22)35/h8,11-12,16-18,20,23,31H,7,9-10,13H2,1-6H3,(H,30,34)(H,32,35)/t16-,17?,18?,20?,23?/m1/s1
InChIKeyGUPJUEPOBNLULE-KVGVQVFUSA-N
XLogP3.89
TPSA77.23 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.60
LogP ≤ 53.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-5-[[(2R)-2,6-dimethylpiperidin-4-yl]-ethylamino]-6-methyl-3-(trifluoromethyl)cyclohexa-1,3-diene-1-carboxamide?
The IUPAC name of N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-5-[[(2R)-2,6-dimethylpiperidin-4-yl]-ethylamino]-6-methyl-3-(trifluoromethyl)cyclohexa-1,3-diene-1-carboxamide (CID 70913335) is N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-5-[[(2R)-2,6-dimethylpiperidin-4-yl]-ethylamino]-6-methyl-3-(trifluoromethyl)cyclohexa-1,3-diene-1-carboxamide.
What is the SMILES notation for N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-5-[[(2R)-2,6-dimethylpiperidin-4-yl]-ethylamino]-6-methyl-3-(trifluoromethyl)cyclohexa-1,3-diene-1-carboxamide?
The canonical SMILES for N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-5-[[(2R)-2,6-dimethylpiperidin-4-yl]-ethylamino]-6-methyl-3-(trifluoromethyl)cyclohexa-1,3-diene-1-carboxamide is CCN(C1CC(C)N[C@H](C)C1)C1C=C(C(F)(F)F)C=C(C(=O)NCc2c(C)cc(C)[nH]c2=O)C1C.
What is the InChIKey of N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-5-[[(2R)-2,6-dimethylpiperidin-4-yl]-ethylamino]-6-methyl-3-(trifluoromethyl)cyclohexa-1,3-diene-1-carboxamide?
The InChIKey is GUPJUEPOBNLULE-KVGVQVFUSA-N. The full InChI is InChI=1S/C26H37F3N4O2/c1-7-33(20-9-16(4)31-17(5)10-20)23-12-19(26(27,28)29)11-21(18(23)6)24(34)30-13-22-14(2)8-15(3)32-25(22)35/h8,11-12,16-18,20,23,31H,7,9-10,13H2,1-6H3,(H,30,34)(H,32,35)/t16-,17?,18?,20?,23?/m1/s1.
What are the key properties of N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-5-[[(2R)-2,6-dimethylpiperidin-4-yl]-ethylamino]-6-methyl-3-(trifluoromethyl)cyclohexa-1,3-diene-1-carboxamide?
N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-5-[[(2R)-2,6-dimethylpiperidin-4-yl]-ethylamino]-6-methyl-3-(trifluoromethyl)cyclohexa-1,3-diene-1-carboxamide has a molecular weight of 494.60 g/mol, XLogP of 3.89, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-5-[[(2R)-2,6-dimethylpiperidin-4-yl]-ethylamino]-6-methyl-3-(trifluoromethyl)cyclohexa-1,3-diene-1-carboxamide is sourced from PubChem (CID 70913335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).