N,N-diethyl-2-[5-[(2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)carbamoylamino]indol-1-yl]acetamide

C22H29N7O2 — CID 86889785

IUPACN,N-diethyl-2-[5-[(2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)carbamoylamino]indol-1-yl]acetamide
SMILESCCN(CC)C(=O)Cn1ccc2cc(NC(=O)NC3CCc4nc(C)nn4C3)ccc21
InChIInChI=1S/C22H29N7O2/c1-4-27(5-2)21(30)14-28-11-10-16-12-17(6-8-19(16)28)24-22(31)25-18-7-9-20-23-15(3)26-29(20)13-18/h6,8,10-12,18H,4-5,7,9,13-14H2,1-3H3,(H2,24,25,31)
InChIKeyJHSJXOIFKAZQAE-UHFFFAOYSA-N
MW423.52 g/mol
LogP2.55
Rot. Bonds6

About N,N-diethyl-2-[5-[(2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)carbamoylamino]indol-1-yl]acetamide

N,N-diethyl-2-[5-[(2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)carbamoylamino]indol-1-yl]acetamide (PubChem CID 86889785) has the molecular formula C22H29N7O2 and a molecular weight of 423.52 g/mol. Its IUPAC name is N,N-diethyl-2-[5-[(2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)carbamoylamino]indol-1-yl]acetamide.

Molecular Properties

Compound NameN,N-diethyl-2-[5-[(2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)carbamoylamino]indol-1-yl]acetamide
PubChem CID86889785
Molecular FormulaC22H29N7O2
Molecular Weight423.52 g/mol
Exact Mass423.24
IUPAC NameN,N-diethyl-2-[5-[(2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)carbamoylamino]indol-1-yl]acetamide
SMILESCCN(CC)C(=O)Cn1ccc2cc(NC(=O)NC3CCc4nc(C)nn4C3)ccc21
InChIInChI=1S/C22H29N7O2/c1-4-27(5-2)21(30)14-28-11-10-16-12-17(6-8-19(16)28)24-22(31)25-18-7-9-20-23-15(3)26-29(20)13-18/h6,8,10-12,18H,4-5,7,9,13-14H2,1-3H3,(H2,24,25,31)
InChIKeyJHSJXOIFKAZQAE-UHFFFAOYSA-N
XLogP2.55
TPSA97.08 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.52
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N,N-diethyl-2-[5-[(2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)carbamoylamino]indol-1-yl]acetamide with MolForge

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Related Compounds

N-[1-[2-(diethylamino)-2-oxoethyl]indol-5-yl]cyclohexanecarboxamide
CID 47089802
1-[3-(2-methylpropoxy)phenyl]-3-(2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)urea
CID 155944996
2-[5-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethylcarbamoylamino]indol-1-yl]-N,N-diethylacetamide
CID 86900793
1-amino-N-[1-[2-(diethylamino)-2-oxoethyl]indol-5-yl]cyclopropane-1-carboxamide
CID 119764130
3-[[1-[2-(diethylamino)-2-oxoethyl]indol-5-yl]carbamoylamino]-2-hydroxy-2-methylpropanoic acid
CID 122079445
1-(4-hydroxycyclohexyl)-3-(1-propylindol-5-yl)urea
CID 110936399
N,N-diethyl-2-[5-[[2-hydroxy-2-(4-methylphenyl)ethyl]carbamoylamino]indol-1-yl]acetamide
CID 86889809
N,N-dimethyl-2-[5-[[1-(2-methylpropanoyl)piperidin-4-yl]carbamoylamino]indol-1-yl]acetamide
CID 56566441
1-amino-N-[1-[2-(diethylamino)-2-oxoethyl]indol-5-yl]cyclohexane-1-carboxamide
CID 119312265
4,5-dichloro-N-[1-[2-(diethylamino)-2-oxoethyl]indol-5-yl]-1H-pyrrole-2-carboxamide
CID 86874780
N-[1-[2-(diethylamino)-2-oxoethyl]indol-5-yl]-5-fluoro-2-methylbenzamide
CID 86874773
N,N-diethyl-2-[5-[2-(1,3-thiazol-2-yl)propan-2-ylcarbamoylamino]indol-1-yl]acetamide
CID 86962624

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-[5-[(2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)carbamoylamino]indol-1-yl]acetamide?
The IUPAC name of N,N-diethyl-2-[5-[(2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)carbamoylamino]indol-1-yl]acetamide (CID 86889785) is N,N-diethyl-2-[5-[(2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)carbamoylamino]indol-1-yl]acetamide.
What is the SMILES notation for N,N-diethyl-2-[5-[(2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)carbamoylamino]indol-1-yl]acetamide?
The canonical SMILES for N,N-diethyl-2-[5-[(2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)carbamoylamino]indol-1-yl]acetamide is CCN(CC)C(=O)Cn1ccc2cc(NC(=O)NC3CCc4nc(C)nn4C3)ccc21.
What is the InChIKey of N,N-diethyl-2-[5-[(2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)carbamoylamino]indol-1-yl]acetamide?
The InChIKey is JHSJXOIFKAZQAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N7O2/c1-4-27(5-2)21(30)14-28-11-10-16-12-17(6-8-19(16)28)24-22(31)25-18-7-9-20-23-15(3)26-29(20)13-18/h6,8,10-12,18H,4-5,7,9,13-14H2,1-3H3,(H2,24,25,31).
What are the key properties of N,N-diethyl-2-[5-[(2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)carbamoylamino]indol-1-yl]acetamide?
N,N-diethyl-2-[5-[(2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)carbamoylamino]indol-1-yl]acetamide has a molecular weight of 423.52 g/mol, XLogP of 2.55, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-[5-[(2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)carbamoylamino]indol-1-yl]acetamide is sourced from PubChem (CID 86889785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).