6-ethoxy-3-[(2R)-2-ethyl-4-[6-methoxy-2-(trifluoromethyl)pyridine-3-carbonyl]piperazin-1-yl]-N-[[(2S)-1-methylazetidin-2-yl]methyl]-6-pyridin-3-yl-1H-pyridine-2-carboxamide

C32H40F3N7O4 — CID 175098803

IUPAC6-ethoxy-3-[(2R)-2-ethyl-4-[6-methoxy-2-(trifluoromethyl)pyridine-3-carbonyl]piperazin-1-yl]-N-[[(2S)-1-methylazetidin-2-yl]methyl]-6-pyridin-3-yl-1H-pyridine-2-carboxamide
SMILESCCOC1(c2cccnc2)C=CC(N2CCN(C(=O)c3ccc(OC)nc3C(F)(F)F)C[C@H]2CC)=C(C(=O)NC[C@@H]2CCN2C)N1
InChIInChI=1S/C32H40F3N7O4/c1-5-22-20-41(30(44)24-9-10-26(45-4)38-28(24)32(33,34)35)16-17-42(22)25-11-13-31(46-6-2,21-8-7-14-36-18-21)39-27(25)29(43)37-19-23-12-15-40(23)3/h7-11,13-14,18,22-23,39H,5-6,12,15-17,19-20H2,1-4H3,(H,37,43)/t22-,23+,31?/m1/s1
InChIKeyVNGNGRIZNFQLDO-SRCUMICNSA-N
MW643.71 g/mol
LogP3.12
Rot. Bonds10

About 6-ethoxy-3-[(2R)-2-ethyl-4-[6-methoxy-2-(trifluoromethyl)pyridine-3-carbonyl]piperazin-1-yl]-N-[[(2S)-1-methylazetidin-2-yl]methyl]-6-pyridin-3-yl-1H-pyridine-2-carboxamide

6-ethoxy-3-[(2R)-2-ethyl-4-[6-methoxy-2-(trifluoromethyl)pyridine-3-carbonyl]piperazin-1-yl]-N-[[(2S)-1-methylazetidin-2-yl]methyl]-6-pyridin-3-yl-1H-pyridine-2-carboxamide (PubChem CID 175098803) has the molecular formula C32H40F3N7O4 and a molecular weight of 643.71 g/mol. Its IUPAC name is 6-ethoxy-3-[(2R)-2-ethyl-4-[6-methoxy-2-(trifluoromethyl)pyridine-3-carbonyl]piperazin-1-yl]-N-[[(2S)-1-methylazetidin-2-yl]methyl]-6-pyridin-3-yl-1H-pyridine-2-carboxamide.

Molecular Properties

Compound Name6-ethoxy-3-[(2R)-2-ethyl-4-[6-methoxy-2-(trifluoromethyl)pyridine-3-carbonyl]piperazin-1-yl]-N-[[(2S)-1-methylazetidin-2-yl]methyl]-6-pyridin-3-yl-1H-pyridine-2-carboxamide
PubChem CID175098803
Molecular FormulaC32H40F3N7O4
Molecular Weight643.71 g/mol
Exact Mass643.31
IUPAC Name6-ethoxy-3-[(2R)-2-ethyl-4-[6-methoxy-2-(trifluoromethyl)pyridine-3-carbonyl]piperazin-1-yl]-N-[[(2S)-1-methylazetidin-2-yl]methyl]-6-pyridin-3-yl-1H-pyridine-2-carboxamide
SMILESCCOC1(c2cccnc2)C=CC(N2CCN(C(=O)c3ccc(OC)nc3C(F)(F)F)C[C@H]2CC)=C(C(=O)NC[C@@H]2CCN2C)N1
InChIInChI=1S/C32H40F3N7O4/c1-5-22-20-41(30(44)24-9-10-26(45-4)38-28(24)32(33,34)35)16-17-42(22)25-11-13-31(46-6-2,21-8-7-14-36-18-21)39-27(25)29(43)37-19-23-12-15-40(23)3/h7-11,13-14,18,22-23,39H,5-6,12,15-17,19-20H2,1-4H3,(H,37,43)/t22-,23+,31?/m1/s1
InChIKeyVNGNGRIZNFQLDO-SRCUMICNSA-N
XLogP3.12
TPSA112.16 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds10
Heavy Atoms46
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500643.71
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 6-ethoxy-3-[(2R)-2-ethyl-4-[6-methoxy-2-(trifluoromethyl)pyridine-3-carbonyl]piperazin-1-yl]-N-[[(2S)-1-methylazetidin-2-yl]methyl]-6-pyridin-3-yl-1H-pyridine-2-carboxamide with MolForge

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Related Compounds

6-ethoxy-3-[(2R)-2-ethyl-4-[4-fluoro-2-(trifluoromethyl)benzoyl]piperazin-1-yl]-6-pyridin-3-yl-N-[(3R)-pyrrolidin-3-yl]-1H-pyridine-2-carboxamide
CID 175104087
3-[(2R)-4-[4-chloro-2-(difluoromethyl)benzoyl]-2-ethylpiperazin-1-yl]-6-ethoxy-N-[(3R)-1-methylpyrrolidin-3-yl]-6-pyridin-3-yl-1H-pyridine-2-carboxamide
CID 175100637
6-ethoxy-3-[(2R)-2-ethyl-4-[1-(trifluoromethyl)cyclobutanecarbonyl]piperazin-1-yl]-N-[(3S)-1-methylpyrrolidin-3-yl]-6-pyridin-3-yl-1H-pyridine-2-carboxamide
CID 175100635
6-ethoxy-3-[(2R)-2-ethyl-4-(1-ethylcyclobutanecarbonyl)piperazin-1-yl]-N-[2-(methylamino)ethyl]-6-pyridin-3-yl-1H-pyridine-2-carboxamide
CID 175110101
6-ethoxy-3-[(2R)-2-ethyl-4-[1-(trifluoromethyl)cyclopentanecarbonyl]piperazin-1-yl]-6-pyridin-3-yl-N-[(3R)-pyrrolidin-3-yl]-1H-pyridine-2-carboxamide
CID 175102649
6-ethoxy-3-[(2R)-2-ethyl-4-[(2S)-2-(trifluoromethyl)piperidine-1-carbonyl]piperazin-1-yl]-N-[(3R)-1-methylpyrrolidin-3-yl]-6-pyridin-3-yl-1H-pyridine-2-carboxamide
CID 175103712
3-[(2R)-4-(4-chloro-2-cyanobenzoyl)-2-ethylpiperazin-1-yl]-6-ethoxy-6-pyridin-3-yl-N-[(3R)-pyrrolidin-3-yl]-1H-pyridine-2-carboxamide
CID 175103902
6-ethoxy-3-[(2R)-2-ethyl-4-(7-methyl-2,3-dihydroindole-1-carbonyl)piperazin-1-yl]-6-pyridin-3-yl-N-[(3R)-pyrrolidin-3-yl]-1H-pyridine-2-carboxamide
CID 175352558
6-(2-ethoxy-3-pyridinyl)-3-[(2R)-2-ethyl-4-[6-methoxy-2-(trifluoromethyl)pyridine-3-carbonyl]piperazin-1-yl]-N-[(3S,4R)-4-fluoropyrrolidin-3-yl]pyridine-2-carboxamide
CID 146361219
[(3R)-4-[4-(2-ethoxy-3-pyridinyl)-2-[(iodoamino)methyl]phenyl]-3-ethylpiperazin-1-yl]-[6-ethoxy-2-(trifluoromethyl)-3-pyridinyl]methanone
CID 170421844
6-(2-ethoxy-3-pyridinyl)-3-[(2R)-2-ethyl-4-[6-methyl-2-(trifluoromethyl)pyridine-3-carbonyl]piperazin-1-yl]-N-[2-(methylamino)ethyl]pyridine-2-carboxamide
CID 146361240
3-methoxypyridine;N-[(1-methylpyrrolidin-2-yl)methyl]acetamide
CID 54177761

Frequently Asked Questions

What is the IUPAC name of 6-ethoxy-3-[(2R)-2-ethyl-4-[6-methoxy-2-(trifluoromethyl)pyridine-3-carbonyl]piperazin-1-yl]-N-[[(2S)-1-methylazetidin-2-yl]methyl]-6-pyridin-3-yl-1H-pyridine-2-carboxamide?
The IUPAC name of 6-ethoxy-3-[(2R)-2-ethyl-4-[6-methoxy-2-(trifluoromethyl)pyridine-3-carbonyl]piperazin-1-yl]-N-[[(2S)-1-methylazetidin-2-yl]methyl]-6-pyridin-3-yl-1H-pyridine-2-carboxamide (CID 175098803) is 6-ethoxy-3-[(2R)-2-ethyl-4-[6-methoxy-2-(trifluoromethyl)pyridine-3-carbonyl]piperazin-1-yl]-N-[[(2S)-1-methylazetidin-2-yl]methyl]-6-pyridin-3-yl-1H-pyridine-2-carboxamide.
What is the SMILES notation for 6-ethoxy-3-[(2R)-2-ethyl-4-[6-methoxy-2-(trifluoromethyl)pyridine-3-carbonyl]piperazin-1-yl]-N-[[(2S)-1-methylazetidin-2-yl]methyl]-6-pyridin-3-yl-1H-pyridine-2-carboxamide?
The canonical SMILES for 6-ethoxy-3-[(2R)-2-ethyl-4-[6-methoxy-2-(trifluoromethyl)pyridine-3-carbonyl]piperazin-1-yl]-N-[[(2S)-1-methylazetidin-2-yl]methyl]-6-pyridin-3-yl-1H-pyridine-2-carboxamide is CCOC1(c2cccnc2)C=CC(N2CCN(C(=O)c3ccc(OC)nc3C(F)(F)F)C[C@H]2CC)=C(C(=O)NC[C@@H]2CCN2C)N1.
What is the InChIKey of 6-ethoxy-3-[(2R)-2-ethyl-4-[6-methoxy-2-(trifluoromethyl)pyridine-3-carbonyl]piperazin-1-yl]-N-[[(2S)-1-methylazetidin-2-yl]methyl]-6-pyridin-3-yl-1H-pyridine-2-carboxamide?
The InChIKey is VNGNGRIZNFQLDO-SRCUMICNSA-N. The full InChI is InChI=1S/C32H40F3N7O4/c1-5-22-20-41(30(44)24-9-10-26(45-4)38-28(24)32(33,34)35)16-17-42(22)25-11-13-31(46-6-2,21-8-7-14-36-18-21)39-27(25)29(43)37-19-23-12-15-40(23)3/h7-11,13-14,18,22-23,39H,5-6,12,15-17,19-20H2,1-4H3,(H,37,43)/t22-,23+,31?/m1/s1.
What are the key properties of 6-ethoxy-3-[(2R)-2-ethyl-4-[6-methoxy-2-(trifluoromethyl)pyridine-3-carbonyl]piperazin-1-yl]-N-[[(2S)-1-methylazetidin-2-yl]methyl]-6-pyridin-3-yl-1H-pyridine-2-carboxamide?
6-ethoxy-3-[(2R)-2-ethyl-4-[6-methoxy-2-(trifluoromethyl)pyridine-3-carbonyl]piperazin-1-yl]-N-[[(2S)-1-methylazetidin-2-yl]methyl]-6-pyridin-3-yl-1H-pyridine-2-carboxamide has a molecular weight of 643.71 g/mol, XLogP of 3.12, 10 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethoxy-3-[(2R)-2-ethyl-4-[6-methoxy-2-(trifluoromethyl)pyridine-3-carbonyl]piperazin-1-yl]-N-[[(2S)-1-methylazetidin-2-yl]methyl]-6-pyridin-3-yl-1H-pyridine-2-carboxamide is sourced from PubChem (CID 175098803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).