N-[[3-(cyclopropanecarbonylamino)phenyl]methyl]-2-(2,5-dimethylphenyl)sulfanylpyridine-3-carboxamide

C25H25N3O2S — CID 24655217

IUPACN-[[3-(cyclopropanecarbonylamino)phenyl]methyl]-2-(2,5-dimethylphenyl)sulfanylpyridine-3-carboxamide
SMILESCc1ccc(C)c(Sc2ncccc2C(=O)NCc2cccc(NC(=O)C3CC3)c2)c1
InChIInChI=1S/C25H25N3O2S/c1-16-8-9-17(2)22(13-16)31-25-21(7-4-12-26-25)24(30)27-15-18-5-3-6-20(14-18)28-23(29)19-10-11-19/h3-9,12-14,19H,10-11,15H2,1-2H3,(H,27,30)(H,28,29)
InChIKeyDBNARSGPCDYVDH-UHFFFAOYSA-N
MW431.56 g/mol
LogP5.13
Rot. Bonds7

About N-[[3-(cyclopropanecarbonylamino)phenyl]methyl]-2-(2,5-dimethylphenyl)sulfanylpyridine-3-carboxamide

N-[[3-(cyclopropanecarbonylamino)phenyl]methyl]-2-(2,5-dimethylphenyl)sulfanylpyridine-3-carboxamide (PubChem CID 24655217) has the molecular formula C25H25N3O2S and a molecular weight of 431.56 g/mol. Its IUPAC name is N-[[3-(cyclopropanecarbonylamino)phenyl]methyl]-2-(2,5-dimethylphenyl)sulfanylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-[[3-(cyclopropanecarbonylamino)phenyl]methyl]-2-(2,5-dimethylphenyl)sulfanylpyridine-3-carboxamide
PubChem CID24655217
Molecular FormulaC25H25N3O2S
Molecular Weight431.56 g/mol
Exact Mass431.17
IUPAC NameN-[[3-(cyclopropanecarbonylamino)phenyl]methyl]-2-(2,5-dimethylphenyl)sulfanylpyridine-3-carboxamide
SMILESCc1ccc(C)c(Sc2ncccc2C(=O)NCc2cccc(NC(=O)C3CC3)c2)c1
InChIInChI=1S/C25H25N3O2S/c1-16-8-9-17(2)22(13-16)31-25-21(7-4-12-26-25)24(30)27-15-18-5-3-6-20(14-18)28-23(29)19-10-11-19/h3-9,12-14,19H,10-11,15H2,1-2H3,(H,27,30)(H,28,29)
InChIKeyDBNARSGPCDYVDH-UHFFFAOYSA-N
XLogP5.13
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500431.56
LogP ≤ 55.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[[3-(cyclopropanecarbonylamino)phenyl]methyl]-2-(2,5-dimethylphenyl)sulfanylpyridine-3-carboxamide 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

2-(2,5-dimethylphenyl)sulfanyl-N-(pyridin-4-ylmethyl)pyridine-3-carboxamide
CID 24628486
N-[[3-(cyclopropanecarbonylamino)phenyl]methyl]-2-fluorobenzamide
CID 17498569
N-[[3-(cyclopropanecarbonylamino)phenyl]methyl]-6-methylpyridine-3-carboxamide
CID 30342481
N-(2-benzamidoethyl)-2-(2,5-dimethylphenyl)sulfanylpyridine-3-carboxamide
CID 38196668
N-[3-(cyclopropanecarbonylamino)phenyl]-2-phenylsulfanylpyridine-3-carboxamide
CID 38326707
N-[3-[(2-methylpropanoylamino)methyl]phenyl]cyclopropanecarboxamide
CID 17398040
N-[[3-(cyclopropanecarbonylamino)phenyl]methyl]-2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]benzamide
CID 31344407
N-[[3-(cyclopentanecarbonylamino)phenyl]methyl]benzo[f]quinoline-5-carboxamide
CID 55893796
2-(2,5-dimethylphenyl)sulfanyl-N-[2-(pyridin-4-ylmethyl)pyrazol-3-yl]pyridine-3-carboxamide
CID 8892613
N-[3-[[acetyl(methyl)amino]methyl]phenyl]-2-(2,4-dimethylphenyl)sulfanylpyridine-3-carboxamide
CID 55654288
N-cyclopropyl-2-(2,4-dimethylphenyl)sulfanylpyridine-3-carboxamide
CID 32620499
2-(2,2-difluoroethoxy)-N-[[3-[(4-methylbenzoyl)amino]phenyl]methyl]pyridine-3-carboxamide
CID 71907122

Frequently Asked Questions

What is the IUPAC name of N-[[3-(cyclopropanecarbonylamino)phenyl]methyl]-2-(2,5-dimethylphenyl)sulfanylpyridine-3-carboxamide?
The IUPAC name of N-[[3-(cyclopropanecarbonylamino)phenyl]methyl]-2-(2,5-dimethylphenyl)sulfanylpyridine-3-carboxamide (CID 24655217) is N-[[3-(cyclopropanecarbonylamino)phenyl]methyl]-2-(2,5-dimethylphenyl)sulfanylpyridine-3-carboxamide.
What is the SMILES notation for N-[[3-(cyclopropanecarbonylamino)phenyl]methyl]-2-(2,5-dimethylphenyl)sulfanylpyridine-3-carboxamide?
The canonical SMILES for N-[[3-(cyclopropanecarbonylamino)phenyl]methyl]-2-(2,5-dimethylphenyl)sulfanylpyridine-3-carboxamide is Cc1ccc(C)c(Sc2ncccc2C(=O)NCc2cccc(NC(=O)C3CC3)c2)c1.
What is the InChIKey of N-[[3-(cyclopropanecarbonylamino)phenyl]methyl]-2-(2,5-dimethylphenyl)sulfanylpyridine-3-carboxamide?
The InChIKey is DBNARSGPCDYVDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N3O2S/c1-16-8-9-17(2)22(13-16)31-25-21(7-4-12-26-25)24(30)27-15-18-5-3-6-20(14-18)28-23(29)19-10-11-19/h3-9,12-14,19H,10-11,15H2,1-2H3,(H,27,30)(H,28,29).
What are the key properties of N-[[3-(cyclopropanecarbonylamino)phenyl]methyl]-2-(2,5-dimethylphenyl)sulfanylpyridine-3-carboxamide?
N-[[3-(cyclopropanecarbonylamino)phenyl]methyl]-2-(2,5-dimethylphenyl)sulfanylpyridine-3-carboxamide has a molecular weight of 431.56 g/mol, XLogP of 5.13, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(cyclopropanecarbonylamino)phenyl]methyl]-2-(2,5-dimethylphenyl)sulfanylpyridine-3-carboxamide is sourced from PubChem (CID 24655217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).