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

C32H35F3N4O3 — CID 122491318

IUPACN-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-1-[1-[2-[3-(trifluoromethyl)phenyl]piperidin-4-yl]ethyl]indole-3-carboxamide
SMILESCOc1cc(C)[nH]c(=O)c1CNC(=O)c1c(C)n(C(C)C2CCNC(c3cccc(C(F)(F)F)c3)C2)c2ccccc12
InChIInChI=1S/C32H35F3N4O3/c1-18-14-28(42-4)25(30(40)38-18)17-37-31(41)29-20(3)39(27-11-6-5-10-24(27)29)19(2)21-12-13-36-26(16-21)22-8-7-9-23(15-22)32(33,34)35/h5-11,14-15,19,21,26,36H,12-13,16-17H2,1-4H3,(H,37,41)(H,38,40)
InChIKeyFQYZARPZQPUBLQ-UHFFFAOYSA-N
MW580.65 g/mol
LogP6.21
Rot. Bonds7

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

N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-1-[1-[2-[3-(trifluoromethyl)phenyl]piperidin-4-yl]ethyl]indole-3-carboxamide (PubChem CID 122491318) has the molecular formula C32H35F3N4O3 and a molecular weight of 580.65 g/mol. Its IUPAC name is N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-1-[1-[2-[3-(trifluoromethyl)phenyl]piperidin-4-yl]ethyl]indole-3-carboxamide.

Molecular Properties

Compound NameN-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-1-[1-[2-[3-(trifluoromethyl)phenyl]piperidin-4-yl]ethyl]indole-3-carboxamide
PubChem CID122491318
Molecular FormulaC32H35F3N4O3
Molecular Weight580.65 g/mol
Exact Mass580.27
IUPAC NameN-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-1-[1-[2-[3-(trifluoromethyl)phenyl]piperidin-4-yl]ethyl]indole-3-carboxamide
SMILESCOc1cc(C)[nH]c(=O)c1CNC(=O)c1c(C)n(C(C)C2CCNC(c3cccc(C(F)(F)F)c3)C2)c2ccccc12
InChIInChI=1S/C32H35F3N4O3/c1-18-14-28(42-4)25(30(40)38-18)17-37-31(41)29-20(3)39(27-11-6-5-10-24(27)29)19(2)21-12-13-36-26(16-21)22-8-7-9-23(15-22)32(33,34)35/h5-11,14-15,19,21,26,36H,12-13,16-17H2,1-4H3,(H,37,41)(H,38,40)
InChIKeyFQYZARPZQPUBLQ-UHFFFAOYSA-N
XLogP6.21
TPSA88.15 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500580.65
LogP ≤ 56.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-1-[1-[2-[3-(trifluoromethyl)phenyl]piperidin-4-yl]ethyl]indole-3-carboxamide with MolForge

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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-[2-[3-(trifluoromethyl)phenyl]piperidin-4-yl]ethyl]indole-3-carboxamide?
The IUPAC name of N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-1-[1-[2-[3-(trifluoromethyl)phenyl]piperidin-4-yl]ethyl]indole-3-carboxamide (CID 122491318) is N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-1-[1-[2-[3-(trifluoromethyl)phenyl]piperidin-4-yl]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-[2-[3-(trifluoromethyl)phenyl]piperidin-4-yl]ethyl]indole-3-carboxamide?
The canonical SMILES for N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-1-[1-[2-[3-(trifluoromethyl)phenyl]piperidin-4-yl]ethyl]indole-3-carboxamide is COc1cc(C)[nH]c(=O)c1CNC(=O)c1c(C)n(C(C)C2CCNC(c3cccc(C(F)(F)F)c3)C2)c2ccccc12.
What is the InChIKey of N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-1-[1-[2-[3-(trifluoromethyl)phenyl]piperidin-4-yl]ethyl]indole-3-carboxamide?
The InChIKey is FQYZARPZQPUBLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H35F3N4O3/c1-18-14-28(42-4)25(30(40)38-18)17-37-31(41)29-20(3)39(27-11-6-5-10-24(27)29)19(2)21-12-13-36-26(16-21)22-8-7-9-23(15-22)32(33,34)35/h5-11,14-15,19,21,26,36H,12-13,16-17H2,1-4H3,(H,37,41)(H,38,40).
What are the key properties of N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-1-[1-[2-[3-(trifluoromethyl)phenyl]piperidin-4-yl]ethyl]indole-3-carboxamide?
N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-1-[1-[2-[3-(trifluoromethyl)phenyl]piperidin-4-yl]ethyl]indole-3-carboxamide has a molecular weight of 580.65 g/mol, XLogP of 6.21, 7 rotatable bonds, 3 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-[2-[3-(trifluoromethyl)phenyl]piperidin-4-yl]ethyl]indole-3-carboxamide is sourced from PubChem (CID 122491318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).