3-[2-[[2-methyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]carbamoylamino]phenyl]sulfanylpropanamide

C20H24N6O2S — CID 56557162

IUPAC3-[2-[[2-methyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]carbamoylamino]phenyl]sulfanylpropanamide
SMILESCC(C)C(NC(=O)Nc1ccccc1SCCC(N)=O)c1nnc2ccccn12
InChIInChI=1S/C20H24N6O2S/c1-13(2)18(19-25-24-17-9-5-6-11-26(17)19)23-20(28)22-14-7-3-4-8-15(14)29-12-10-16(21)27/h3-9,11,13,18H,10,12H2,1-2H3,(H2,21,27)(H2,22,23,28)
InChIKeyYEKGXKRJBFXVDS-UHFFFAOYSA-N
MW412.52 g/mol
LogP3.22
Rot. Bonds8

About 3-[2-[[2-methyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]carbamoylamino]phenyl]sulfanylpropanamide

3-[2-[[2-methyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]carbamoylamino]phenyl]sulfanylpropanamide (PubChem CID 56557162) has the molecular formula C20H24N6O2S and a molecular weight of 412.52 g/mol. Its IUPAC name is 3-[2-[[2-methyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]carbamoylamino]phenyl]sulfanylpropanamide.

Molecular Properties

Compound Name3-[2-[[2-methyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]carbamoylamino]phenyl]sulfanylpropanamide
PubChem CID56557162
Molecular FormulaC20H24N6O2S
Molecular Weight412.52 g/mol
Exact Mass412.17
IUPAC Name3-[2-[[2-methyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]carbamoylamino]phenyl]sulfanylpropanamide
SMILESCC(C)C(NC(=O)Nc1ccccc1SCCC(N)=O)c1nnc2ccccn12
InChIInChI=1S/C20H24N6O2S/c1-13(2)18(19-25-24-17-9-5-6-11-26(17)19)23-20(28)22-14-7-3-4-8-15(14)29-12-10-16(21)27/h3-9,11,13,18H,10,12H2,1-2H3,(H2,21,27)(H2,22,23,28)
InChIKeyYEKGXKRJBFXVDS-UHFFFAOYSA-N
XLogP3.22
TPSA114.41 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.52
LogP ≤ 53.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 3-[2-[[2-methyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]carbamoylamino]phenyl]sulfanylpropanamide 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

1-(2,4-difluorophenyl)-3-[(1R)-2-methyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]urea
CID 95154279
1-(4-bromo-2-fluorophenyl)-3-[(1S)-2-methyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]urea
CID 95154280
1-(2-hydroxy-4-methylpentyl)-3-[2-methyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]urea
CID 110922336
N-[(1S)-2-methyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]furan-2-carboxamide
CID 42536093
3-amino-N-[2-(3-amino-3-oxopropyl)sulfanylphenyl]-2-methylbutanamide
CID 120500378
1-[(1S)-2-methyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]-3-[(Z)-3-phenylprop-2-enyl]urea
CID 97359222
2-(2-methoxyethoxy)-N-[(1R)-2-methyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]benzamide
CID 52860674
N-[1-[2-(3-amino-3-oxopropyl)sulfanylanilino]-1-oxopropan-2-yl]furan-2-carboxamide
CID 155947053
4-hydroxy-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]pentanamide
CID 79200415
N'-[2-(3-amino-3-oxopropyl)sulfanylphenyl]-N-(2-hydroxy-3-methylbutyl)oxamide
CID 146125457
N-[(1S)-2-methyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]-9H-xanthene-9-carboxamide
CID 29140560
2-(2,4-dichlorophenoxy)-N-[(1S)-2-methyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]propanamide
CID 23474049

Frequently Asked Questions

What is the IUPAC name of 3-[2-[[2-methyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]carbamoylamino]phenyl]sulfanylpropanamide?
The IUPAC name of 3-[2-[[2-methyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]carbamoylamino]phenyl]sulfanylpropanamide (CID 56557162) is 3-[2-[[2-methyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]carbamoylamino]phenyl]sulfanylpropanamide.
What is the SMILES notation for 3-[2-[[2-methyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]carbamoylamino]phenyl]sulfanylpropanamide?
The canonical SMILES for 3-[2-[[2-methyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]carbamoylamino]phenyl]sulfanylpropanamide is CC(C)C(NC(=O)Nc1ccccc1SCCC(N)=O)c1nnc2ccccn12.
What is the InChIKey of 3-[2-[[2-methyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]carbamoylamino]phenyl]sulfanylpropanamide?
The InChIKey is YEKGXKRJBFXVDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N6O2S/c1-13(2)18(19-25-24-17-9-5-6-11-26(17)19)23-20(28)22-14-7-3-4-8-15(14)29-12-10-16(21)27/h3-9,11,13,18H,10,12H2,1-2H3,(H2,21,27)(H2,22,23,28).
What are the key properties of 3-[2-[[2-methyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]carbamoylamino]phenyl]sulfanylpropanamide?
3-[2-[[2-methyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]carbamoylamino]phenyl]sulfanylpropanamide has a molecular weight of 412.52 g/mol, XLogP of 3.22, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[[2-methyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]carbamoylamino]phenyl]sulfanylpropanamide is sourced from PubChem (CID 56557162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).