6-methoxy-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-1-[(1S)-1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]indole-3-carboxamide

C28H35F3N4O4 — CID 135183010

IUPAC6-methoxy-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-1-[(1S)-1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]indole-3-carboxamide
SMILESCOc1ccc2c(C(=O)NCc3c(OC)cc(C)[nH]c3=O)c(C)n([C@@H](C)C3CCN(CC(F)(F)F)CC3)c2c1
InChIInChI=1S/C28H35F3N4O4/c1-16-12-24(39-5)22(26(36)33-16)14-32-27(37)25-18(3)35(23-13-20(38-4)6-7-21(23)25)17(2)19-8-10-34(11-9-19)15-28(29,30)31/h6-7,12-13,17,19H,8-11,14-15H2,1-5H3,(H,32,37)(H,33,36)/t17-/m0/s1
InChIKeyRHGWCWNJEUGTFF-KRWDZBQOSA-N
MW548.61 g/mol
LogP4.73
Rot. Bonds8

About 6-methoxy-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-1-[(1S)-1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]indole-3-carboxamide

6-methoxy-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-1-[(1S)-1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]indole-3-carboxamide (PubChem CID 135183010) has the molecular formula C28H35F3N4O4 and a molecular weight of 548.61 g/mol. Its IUPAC name is 6-methoxy-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-1-[(1S)-1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]indole-3-carboxamide.

Molecular Properties

Compound Name6-methoxy-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-1-[(1S)-1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]indole-3-carboxamide
PubChem CID135183010
Molecular FormulaC28H35F3N4O4
Molecular Weight548.61 g/mol
Exact Mass548.26
IUPAC Name6-methoxy-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-1-[(1S)-1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]indole-3-carboxamide
SMILESCOc1ccc2c(C(=O)NCc3c(OC)cc(C)[nH]c3=O)c(C)n([C@@H](C)C3CCN(CC(F)(F)F)CC3)c2c1
InChIInChI=1S/C28H35F3N4O4/c1-16-12-24(39-5)22(26(36)33-16)14-32-27(37)25-18(3)35(23-13-20(38-4)6-7-21(23)25)17(2)19-8-10-34(11-9-19)15-28(29,30)31/h6-7,12-13,17,19H,8-11,14-15H2,1-5H3,(H,32,37)(H,33,36)/t17-/m0/s1
InChIKeyRHGWCWNJEUGTFF-KRWDZBQOSA-N
XLogP4.73
TPSA88.59 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500548.61
LogP ≤ 54.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-methoxy-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-1-[(1S)-1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]indole-3-carboxamide?
The IUPAC name of 6-methoxy-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-1-[(1S)-1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]indole-3-carboxamide (CID 135183010) is 6-methoxy-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-1-[(1S)-1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]indole-3-carboxamide.
What is the SMILES notation for 6-methoxy-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-1-[(1S)-1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]indole-3-carboxamide?
The canonical SMILES for 6-methoxy-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-1-[(1S)-1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]indole-3-carboxamide is COc1ccc2c(C(=O)NCc3c(OC)cc(C)[nH]c3=O)c(C)n([C@@H](C)C3CCN(CC(F)(F)F)CC3)c2c1.
What is the InChIKey of 6-methoxy-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-1-[(1S)-1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]indole-3-carboxamide?
The InChIKey is RHGWCWNJEUGTFF-KRWDZBQOSA-N. The full InChI is InChI=1S/C28H35F3N4O4/c1-16-12-24(39-5)22(26(36)33-16)14-32-27(37)25-18(3)35(23-13-20(38-4)6-7-21(23)25)17(2)19-8-10-34(11-9-19)15-28(29,30)31/h6-7,12-13,17,19H,8-11,14-15H2,1-5H3,(H,32,37)(H,33,36)/t17-/m0/s1.
What are the key properties of 6-methoxy-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-1-[(1S)-1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]indole-3-carboxamide?
6-methoxy-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-1-[(1S)-1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]indole-3-carboxamide has a molecular weight of 548.61 g/mol, XLogP of 4.73, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-1-[(1S)-1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]indole-3-carboxamide is sourced from PubChem (CID 135183010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).