2-[5-[(2-ethoxy-3-pyridinyl)methylcarbamoylamino]indol-1-yl]-N,N-diethylacetamide

C23H29N5O3 — CID 86889821

IUPAC2-[5-[(2-ethoxy-3-pyridinyl)methylcarbamoylamino]indol-1-yl]-N,N-diethylacetamide
SMILESCCOc1ncccc1CNC(=O)Nc1ccc2c(ccn2CC(=O)N(CC)CC)c1
InChIInChI=1S/C23H29N5O3/c1-4-27(5-2)21(29)16-28-13-11-17-14-19(9-10-20(17)28)26-23(30)25-15-18-8-7-12-24-22(18)31-6-3/h7-14H,4-6,15-16H2,1-3H3,(H2,25,26,30)
InChIKeyKAUJDDOCFASQDY-UHFFFAOYSA-N
MW423.52 g/mol
LogP3.63
Rot. Bonds9

About 2-[5-[(2-ethoxy-3-pyridinyl)methylcarbamoylamino]indol-1-yl]-N,N-diethylacetamide

2-[5-[(2-ethoxy-3-pyridinyl)methylcarbamoylamino]indol-1-yl]-N,N-diethylacetamide (PubChem CID 86889821) has the molecular formula C23H29N5O3 and a molecular weight of 423.52 g/mol. Its IUPAC name is 2-[5-[(2-ethoxy-3-pyridinyl)methylcarbamoylamino]indol-1-yl]-N,N-diethylacetamide.

Molecular Properties

Compound Name2-[5-[(2-ethoxy-3-pyridinyl)methylcarbamoylamino]indol-1-yl]-N,N-diethylacetamide
PubChem CID86889821
Molecular FormulaC23H29N5O3
Molecular Weight423.52 g/mol
Exact Mass423.23
IUPAC Name2-[5-[(2-ethoxy-3-pyridinyl)methylcarbamoylamino]indol-1-yl]-N,N-diethylacetamide
SMILESCCOc1ncccc1CNC(=O)Nc1ccc2c(ccn2CC(=O)N(CC)CC)c1
InChIInChI=1S/C23H29N5O3/c1-4-27(5-2)21(29)16-28-13-11-17-14-19(9-10-20(17)28)26-23(30)25-15-18-8-7-12-24-22(18)31-6-3/h7-14H,4-6,15-16H2,1-3H3,(H2,25,26,30)
InChIKeyKAUJDDOCFASQDY-UHFFFAOYSA-N
XLogP3.63
TPSA88.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.52
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[[1-[2-(diethylamino)-2-oxoethyl]indol-5-yl]carbamoylamino]-2-hydroxy-2-methylpropanoic acid
CID 122079445
N-[1-[2-(diethylamino)-2-oxoethyl]indol-5-yl]-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide
CID 86875792
N,N-diethyl-2-[5-[[2-hydroxy-2-(4-methylphenyl)ethyl]carbamoylamino]indol-1-yl]acetamide
CID 86889809
N,N-diethyl-2-[5-[2-(1,3-thiazol-2-yl)propan-2-ylcarbamoylamino]indol-1-yl]acetamide
CID 86962624
2-[5-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethylcarbamoylamino]indol-1-yl]-N,N-diethylacetamide
CID 86900793
N-[1-[2-(diethylamino)-2-oxoethyl]indol-5-yl]-3-(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 86885257
1-[(2-ethoxy-3-pyridinyl)methyl]-3-pyridin-3-ylurea
CID 47159517
1-amino-N-[1-[2-(diethylamino)-2-oxoethyl]indol-5-yl]cyclopropane-1-carboxamide
CID 119764130
N-[1-[2-(diethylamino)-2-oxoethyl]indol-5-yl]-3-(2-methoxyphenyl)butanamide
CID 86887844
N-[1-[2-(diethylamino)-2-oxoethyl]indol-5-yl]cyclohexanecarboxamide
CID 47089802
1-amino-N-[1-[2-(diethylamino)-2-oxoethyl]indol-5-yl]cyclohexane-1-carboxamide
CID 119312265
2-[5-[1-(1H-benzimidazol-2-yl)ethylcarbamoylamino]indol-1-yl]-N,N-diethylacetamide
CID 86889777

Frequently Asked Questions

What is the IUPAC name of 2-[5-[(2-ethoxy-3-pyridinyl)methylcarbamoylamino]indol-1-yl]-N,N-diethylacetamide?
The IUPAC name of 2-[5-[(2-ethoxy-3-pyridinyl)methylcarbamoylamino]indol-1-yl]-N,N-diethylacetamide (CID 86889821) is 2-[5-[(2-ethoxy-3-pyridinyl)methylcarbamoylamino]indol-1-yl]-N,N-diethylacetamide.
What is the SMILES notation for 2-[5-[(2-ethoxy-3-pyridinyl)methylcarbamoylamino]indol-1-yl]-N,N-diethylacetamide?
The canonical SMILES for 2-[5-[(2-ethoxy-3-pyridinyl)methylcarbamoylamino]indol-1-yl]-N,N-diethylacetamide is CCOc1ncccc1CNC(=O)Nc1ccc2c(ccn2CC(=O)N(CC)CC)c1.
What is the InChIKey of 2-[5-[(2-ethoxy-3-pyridinyl)methylcarbamoylamino]indol-1-yl]-N,N-diethylacetamide?
The InChIKey is KAUJDDOCFASQDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N5O3/c1-4-27(5-2)21(29)16-28-13-11-17-14-19(9-10-20(17)28)26-23(30)25-15-18-8-7-12-24-22(18)31-6-3/h7-14H,4-6,15-16H2,1-3H3,(H2,25,26,30).
What are the key properties of 2-[5-[(2-ethoxy-3-pyridinyl)methylcarbamoylamino]indol-1-yl]-N,N-diethylacetamide?
2-[5-[(2-ethoxy-3-pyridinyl)methylcarbamoylamino]indol-1-yl]-N,N-diethylacetamide has a molecular weight of 423.52 g/mol, XLogP of 3.63, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[(2-ethoxy-3-pyridinyl)methylcarbamoylamino]indol-1-yl]-N,N-diethylacetamide is sourced from PubChem (CID 86889821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).