N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-1-[1-[3-(trifluoromethyl)-4-pyridinyl]ethyl]indole-3-carboxamide

C26H25F3N4O3 — CID 122458407

IUPACN-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-1-[1-[3-(trifluoromethyl)-4-pyridinyl]ethyl]indole-3-carboxamide
SMILESCOc1cc(C)[nH]c(=O)c1CNC(=O)c1c(C)n(C(C)c2ccncc2C(F)(F)F)c2ccccc12
InChIInChI=1S/C26H25F3N4O3/c1-14-11-22(36-4)19(24(34)32-14)12-31-25(35)23-16(3)33(21-8-6-5-7-18(21)23)15(2)17-9-10-30-13-20(17)26(27,28)29/h5-11,13,15H,12H2,1-4H3,(H,31,35)(H,32,34)
InChIKeyMILQGFLWUCWJIZ-UHFFFAOYSA-N
MW498.51 g/mol
LogP4.91
Rot. Bonds6

About N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-1-[1-[3-(trifluoromethyl)-4-pyridinyl]ethyl]indole-3-carboxamide

N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-1-[1-[3-(trifluoromethyl)-4-pyridinyl]ethyl]indole-3-carboxamide (PubChem CID 122458407) has the molecular formula C26H25F3N4O3 and a molecular weight of 498.51 g/mol. Its IUPAC name is N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-1-[1-[3-(trifluoromethyl)-4-pyridinyl]ethyl]indole-3-carboxamide.

Molecular Properties

Compound NameN-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-1-[1-[3-(trifluoromethyl)-4-pyridinyl]ethyl]indole-3-carboxamide
PubChem CID122458407
Molecular FormulaC26H25F3N4O3
Molecular Weight498.51 g/mol
Exact Mass498.19
IUPAC NameN-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-1-[1-[3-(trifluoromethyl)-4-pyridinyl]ethyl]indole-3-carboxamide
SMILESCOc1cc(C)[nH]c(=O)c1CNC(=O)c1c(C)n(C(C)c2ccncc2C(F)(F)F)c2ccccc12
InChIInChI=1S/C26H25F3N4O3/c1-14-11-22(36-4)19(24(34)32-14)12-31-25(35)23-16(3)33(21-8-6-5-7-18(21)23)15(2)17-9-10-30-13-20(17)26(27,28)29/h5-11,13,15H,12H2,1-4H3,(H,31,35)(H,32,34)
InChIKeyMILQGFLWUCWJIZ-UHFFFAOYSA-N
XLogP4.91
TPSA89.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.51
LogP ≤ 54.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-1-[1-[3-(trifluoromethyl)-4-pyridinyl]ethyl]indole-3-carboxamide?
The IUPAC name of N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-1-[1-[3-(trifluoromethyl)-4-pyridinyl]ethyl]indole-3-carboxamide (CID 122458407) is N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-1-[1-[3-(trifluoromethyl)-4-pyridinyl]ethyl]indole-3-carboxamide.
What is the SMILES notation for N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-1-[1-[3-(trifluoromethyl)-4-pyridinyl]ethyl]indole-3-carboxamide?
The canonical SMILES for N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-1-[1-[3-(trifluoromethyl)-4-pyridinyl]ethyl]indole-3-carboxamide is COc1cc(C)[nH]c(=O)c1CNC(=O)c1c(C)n(C(C)c2ccncc2C(F)(F)F)c2ccccc12.
What is the InChIKey of N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-1-[1-[3-(trifluoromethyl)-4-pyridinyl]ethyl]indole-3-carboxamide?
The InChIKey is MILQGFLWUCWJIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25F3N4O3/c1-14-11-22(36-4)19(24(34)32-14)12-31-25(35)23-16(3)33(21-8-6-5-7-18(21)23)15(2)17-9-10-30-13-20(17)26(27,28)29/h5-11,13,15H,12H2,1-4H3,(H,31,35)(H,32,34).
What are the key properties of N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-1-[1-[3-(trifluoromethyl)-4-pyridinyl]ethyl]indole-3-carboxamide?
N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-1-[1-[3-(trifluoromethyl)-4-pyridinyl]ethyl]indole-3-carboxamide has a molecular weight of 498.51 g/mol, XLogP of 4.91, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-1-[1-[3-(trifluoromethyl)-4-pyridinyl]ethyl]indole-3-carboxamide is sourced from PubChem (CID 122458407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).