N-[2-[[3-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propylcarbamoylamino]methyl]phenyl]acetamide

C19H26N6O3 — CID 100907966

IUPACN-[2-[[3-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propylcarbamoylamino]methyl]phenyl]acetamide
SMILESCC(=O)Nc1ccccc1CNC(=O)NCCCn1nc2n(c1=O)CCCC2
InChIInChI=1S/C19H26N6O3/c1-14(26)22-16-8-3-2-7-15(16)13-21-18(27)20-10-6-12-25-19(28)24-11-5-4-9-17(24)23-25/h2-3,7-8H,4-6,9-13H2,1H3,(H,22,26)(H2,20,21,27)
InChIKeyZEQTWVWHWPYKQK-UHFFFAOYSA-N
MW386.46 g/mol
LogP1.23
Rot. Bonds7

About N-[2-[[3-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propylcarbamoylamino]methyl]phenyl]acetamide

N-[2-[[3-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propylcarbamoylamino]methyl]phenyl]acetamide (PubChem CID 100907966) has the molecular formula C19H26N6O3 and a molecular weight of 386.46 g/mol. Its IUPAC name is N-[2-[[3-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propylcarbamoylamino]methyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[2-[[3-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propylcarbamoylamino]methyl]phenyl]acetamide
PubChem CID100907966
Molecular FormulaC19H26N6O3
Molecular Weight386.46 g/mol
Exact Mass386.21
IUPAC NameN-[2-[[3-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propylcarbamoylamino]methyl]phenyl]acetamide
SMILESCC(=O)Nc1ccccc1CNC(=O)NCCCn1nc2n(c1=O)CCCC2
InChIInChI=1S/C19H26N6O3/c1-14(26)22-16-8-3-2-7-15(16)13-21-18(27)20-10-6-12-25-19(28)24-11-5-4-9-17(24)23-25/h2-3,7-8H,4-6,9-13H2,1H3,(H,22,26)(H2,20,21,27)
InChIKeyZEQTWVWHWPYKQK-UHFFFAOYSA-N
XLogP1.23
TPSA110.05 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.46
LogP ≤ 51.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze N-[2-[[3-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propylcarbamoylamino]methyl]phenyl]acetamide with MolForge

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Related Compounds

1-[(2,4-dichlorophenyl)methyl]-3-[3-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propyl]urea
CID 55769881
1-(2-ethyl-6-methylphenyl)-3-[3-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propyl]urea
CID 55809347
2-methyl-1-[(2-methylphenyl)methyl]-3-[3-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propyl]guanidine;hydroiodide
CID 111360688
2-(4-acetamidophenyl)sulfanyl-N-[3-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propyl]propanamide
CID 55858212
4-acetyl-N-[3-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propyl]-1,4-diazepane-1-carboxamide
CID 96559228
2-[(2-chlorophenyl)methoxy]-N-[3-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propyl]acetamide
CID 55859744
1,2-dimethyl-1-[(2-methylphenyl)methyl]-3-[3-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propyl]guanidine;hydroiodide
CID 111287512
1-[(2,4-dichlorophenyl)methyl]-2-methyl-3-[3-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propyl]guanidine;hydroiodide
CID 111198283
N-[3-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propyl]-1H-indole-2-carboxamide
CID 47068182
2-iodo-N-[2-oxo-2-[3-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propylamino]ethyl]benzamide
CID 55867409
3-(4-methylphenyl)sulfonyl-N-[3-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propyl]propanamide
CID 55967955
2-[4-(methylamino)butyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 62936827

Frequently Asked Questions

What is the IUPAC name of N-[2-[[3-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propylcarbamoylamino]methyl]phenyl]acetamide?
The IUPAC name of N-[2-[[3-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propylcarbamoylamino]methyl]phenyl]acetamide (CID 100907966) is N-[2-[[3-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propylcarbamoylamino]methyl]phenyl]acetamide.
What is the SMILES notation for N-[2-[[3-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propylcarbamoylamino]methyl]phenyl]acetamide?
The canonical SMILES for N-[2-[[3-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propylcarbamoylamino]methyl]phenyl]acetamide is CC(=O)Nc1ccccc1CNC(=O)NCCCn1nc2n(c1=O)CCCC2.
What is the InChIKey of N-[2-[[3-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propylcarbamoylamino]methyl]phenyl]acetamide?
The InChIKey is ZEQTWVWHWPYKQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N6O3/c1-14(26)22-16-8-3-2-7-15(16)13-21-18(27)20-10-6-12-25-19(28)24-11-5-4-9-17(24)23-25/h2-3,7-8H,4-6,9-13H2,1H3,(H,22,26)(H2,20,21,27).
What are the key properties of N-[2-[[3-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propylcarbamoylamino]methyl]phenyl]acetamide?
N-[2-[[3-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propylcarbamoylamino]methyl]phenyl]acetamide has a molecular weight of 386.46 g/mol, XLogP of 1.23, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[3-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propylcarbamoylamino]methyl]phenyl]acetamide is sourced from PubChem (CID 100907966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).