4-butyl-2-methylpyridine;3-[[(Z)-2,3-dimethylbut-1-enyl]-ethenylamino]-N-(3-methyl-4-propylphenyl)-5-(trifluoromethyl)benzamide;N-methylformamide

C38H51F3N4O2 — CID 165142525

IUPAC4-butyl-2-methylpyridine;3-[[(Z)-2,3-dimethylbut-1-enyl]-ethenylamino]-N-(3-methyl-4-propylphenyl)-5-(trifluoromethyl)benzamide;N-methylformamide
SMILESC=CN(/C=C(/C)C(C)C)c1cc(C(=O)Nc2ccc(CCC)c(C)c2)cc(C(F)(F)F)c1.CCCCc1ccnc(C)c1.CNC=O
InChIInChI=1S/C26H31F3N2O.C10H15N.C2H5NO/c1-7-9-20-10-11-23(12-18(20)5)30-25(32)21-13-22(26(27,28)29)15-24(14-21)31(8-2)16-19(6)17(3)4;1-3-4-5-10-6-7-11-9(2)8-10;1-3-2-4/h8,10-17H,2,7,9H2,1,3-6H3,(H,30,32);6-8H,3-5H2,1-2H3;2H,1H3,(H,3,4)/b19-16-;;
InChIKeyIPFSSCGIZSHMCV-QLCKFYRPSA-N
MW652.85 g/mol
LogP9.82
Rot. Bonds12

About 4-butyl-2-methylpyridine;3-[[(Z)-2,3-dimethylbut-1-enyl]-ethenylamino]-N-(3-methyl-4-propylphenyl)-5-(trifluoromethyl)benzamide;N-methylformamide

4-butyl-2-methylpyridine;3-[[(Z)-2,3-dimethylbut-1-enyl]-ethenylamino]-N-(3-methyl-4-propylphenyl)-5-(trifluoromethyl)benzamide;N-methylformamide (PubChem CID 165142525) has the molecular formula C38H51F3N4O2 and a molecular weight of 652.85 g/mol. Its IUPAC name is 4-butyl-2-methylpyridine;3-[[(Z)-2,3-dimethylbut-1-enyl]-ethenylamino]-N-(3-methyl-4-propylphenyl)-5-(trifluoromethyl)benzamide;N-methylformamide.

Molecular Properties

Compound Name4-butyl-2-methylpyridine;3-[[(Z)-2,3-dimethylbut-1-enyl]-ethenylamino]-N-(3-methyl-4-propylphenyl)-5-(trifluoromethyl)benzamide;N-methylformamide
PubChem CID165142525
Molecular FormulaC38H51F3N4O2
Molecular Weight652.85 g/mol
Exact Mass652.40
IUPAC Name4-butyl-2-methylpyridine;3-[[(Z)-2,3-dimethylbut-1-enyl]-ethenylamino]-N-(3-methyl-4-propylphenyl)-5-(trifluoromethyl)benzamide;N-methylformamide
SMILESC=CN(/C=C(/C)C(C)C)c1cc(C(=O)Nc2ccc(CCC)c(C)c2)cc(C(F)(F)F)c1.CCCCc1ccnc(C)c1.CNC=O
InChIInChI=1S/C26H31F3N2O.C10H15N.C2H5NO/c1-7-9-20-10-11-23(12-18(20)5)30-25(32)21-13-22(26(27,28)29)15-24(14-21)31(8-2)16-19(6)17(3)4;1-3-4-5-10-6-7-11-9(2)8-10;1-3-2-4/h8,10-17H,2,7,9H2,1,3-6H3,(H,30,32);6-8H,3-5H2,1-2H3;2H,1H3,(H,3,4)/b19-16-;;
InChIKeyIPFSSCGIZSHMCV-QLCKFYRPSA-N
XLogP9.82
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500652.85
LogP ≤ 59.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

Analyze 4-butyl-2-methylpyridine;3-[[(Z)-2,3-dimethylbut-1-enyl]-ethenylamino]-N-(3-methyl-4-propylphenyl)-5-(trifluoromethyl)benzamide;N-methylformamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[4-[(5Z)-4,4-difluoro-5-[2-oxo-2-(pyridin-2-ylmethylamino)ethylidene]-2,3-dihydro-1-benzazepine-1-carbonyl]phenyl]-2-phenylbenzamide
CID 44520886
N-methyl-5-(2-(2-methyl-5-((3-(trifluoromethyl)phenyl)carbamoyl)phenyl)ethynyl)picolinamide
CID 11669282
4-Acetamido-N-(2-amino-5-(pyridin-4-yl)phenyl)benzamide
CID 118987449
(S)-N-(1-(Pyridin-2-YL)ethyl)-5-(4-(trifluoromethyl)phenyl)-2-naphthamide
CID 146909371
N-(4-tert-butylphenyl)-4-(3-fluoropyridin-2-yl)benzamide
CID 11152242
(2R)-2-[3,5-bis(trifluoromethyl)phenyl]-N-[4-(2-methyl-4-pyridinyl)phenyl]propanamide
CID 42639933
N-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-4-methyl-3-(2-pyridin-3-ylethynyl)benzamide
CID 49797851
2-[3,5-bis(trifluoromethyl)phenyl]-N-[4-(4-fluoro-2-methylphenyl)-6-(5-oxopyrrolidin-3-yl)pyridin-3-yl]-N,2-dimethylpropanamide
CID 52932923
Cathepsin Inhibitor, Column 2 Row 1
CID 71463525
Cathepsin Inhibitor, Column 2 Row 3
CID 71463527
4-[(R)-[3-(cyclopropanecarbonylamino)phenyl]-[4-(pyridin-2-ylmethyl)piperazin-1-yl]methyl]-N,N-diethylbenzamide
CID 57395445
4-(aminomethyl)-N-(3-fluoro-4-pyridinyl)-3-[3-(phenylcarbamoyl)phenyl]benzamide
CID 118737322

Frequently Asked Questions

What is the IUPAC name of 4-butyl-2-methylpyridine;3-[[(Z)-2,3-dimethylbut-1-enyl]-ethenylamino]-N-(3-methyl-4-propylphenyl)-5-(trifluoromethyl)benzamide;N-methylformamide?
The IUPAC name of 4-butyl-2-methylpyridine;3-[[(Z)-2,3-dimethylbut-1-enyl]-ethenylamino]-N-(3-methyl-4-propylphenyl)-5-(trifluoromethyl)benzamide;N-methylformamide (CID 165142525) is 4-butyl-2-methylpyridine;3-[[(Z)-2,3-dimethylbut-1-enyl]-ethenylamino]-N-(3-methyl-4-propylphenyl)-5-(trifluoromethyl)benzamide;N-methylformamide.
What is the SMILES notation for 4-butyl-2-methylpyridine;3-[[(Z)-2,3-dimethylbut-1-enyl]-ethenylamino]-N-(3-methyl-4-propylphenyl)-5-(trifluoromethyl)benzamide;N-methylformamide?
The canonical SMILES for 4-butyl-2-methylpyridine;3-[[(Z)-2,3-dimethylbut-1-enyl]-ethenylamino]-N-(3-methyl-4-propylphenyl)-5-(trifluoromethyl)benzamide;N-methylformamide is C=CN(/C=C(/C)C(C)C)c1cc(C(=O)Nc2ccc(CCC)c(C)c2)cc(C(F)(F)F)c1.CCCCc1ccnc(C)c1.CNC=O.
What is the InChIKey of 4-butyl-2-methylpyridine;3-[[(Z)-2,3-dimethylbut-1-enyl]-ethenylamino]-N-(3-methyl-4-propylphenyl)-5-(trifluoromethyl)benzamide;N-methylformamide?
The InChIKey is IPFSSCGIZSHMCV-QLCKFYRPSA-N. The full InChI is InChI=1S/C26H31F3N2O.C10H15N.C2H5NO/c1-7-9-20-10-11-23(12-18(20)5)30-25(32)21-13-22(26(27,28)29)15-24(14-21)31(8-2)16-19(6)17(3)4;1-3-4-5-10-6-7-11-9(2)8-10;1-3-2-4/h8,10-17H,2,7,9H2,1,3-6H3,(H,30,32);6-8H,3-5H2,1-2H3;2H,1H3,(H,3,4)/b19-16-;;.
What are the key properties of 4-butyl-2-methylpyridine;3-[[(Z)-2,3-dimethylbut-1-enyl]-ethenylamino]-N-(3-methyl-4-propylphenyl)-5-(trifluoromethyl)benzamide;N-methylformamide?
4-butyl-2-methylpyridine;3-[[(Z)-2,3-dimethylbut-1-enyl]-ethenylamino]-N-(3-methyl-4-propylphenyl)-5-(trifluoromethyl)benzamide;N-methylformamide has a molecular weight of 652.85 g/mol, XLogP of 9.82, 12 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butyl-2-methylpyridine;3-[[(Z)-2,3-dimethylbut-1-enyl]-ethenylamino]-N-(3-methyl-4-propylphenyl)-5-(trifluoromethyl)benzamide;N-methylformamide is sourced from PubChem (CID 165142525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).