5-ethyl-N-(2-formamidoethyl)-1H-indole-2-carboxamide

C14H17N3O2 — CID 145164495

IUPAC5-ethyl-N-(2-formamidoethyl)-1H-indole-2-carboxamide
SMILESCCc1ccc2[nH]c(C(=O)NCCNC=O)cc2c1
InChIInChI=1S/C14H17N3O2/c1-2-10-3-4-12-11(7-10)8-13(17-12)14(19)16-6-5-15-9-18/h3-4,7-9,17H,2,5-6H2,1H3,(H,15,18)(H,16,19)
InChIKeyCICYIVYXLYLVCQ-UHFFFAOYSA-N
MW259.31 g/mol
LogP1.21
Rot. Bonds6

About 5-ethyl-N-(2-formamidoethyl)-1H-indole-2-carboxamide

5-ethyl-N-(2-formamidoethyl)-1H-indole-2-carboxamide (PubChem CID 145164495) has the molecular formula C14H17N3O2 and a molecular weight of 259.31 g/mol. Its IUPAC name is 5-ethyl-N-(2-formamidoethyl)-1H-indole-2-carboxamide.

Molecular Properties

Compound Name5-ethyl-N-(2-formamidoethyl)-1H-indole-2-carboxamide
PubChem CID145164495
Molecular FormulaC14H17N3O2
Molecular Weight259.31 g/mol
Exact Mass259.13
IUPAC Name5-ethyl-N-(2-formamidoethyl)-1H-indole-2-carboxamide
SMILESCCc1ccc2[nH]c(C(=O)NCCNC=O)cc2c1
InChIInChI=1S/C14H17N3O2/c1-2-10-3-4-12-11(7-10)8-13(17-12)14(19)16-6-5-15-9-18/h3-4,7-9,17H,2,5-6H2,1H3,(H,15,18)(H,16,19)
InChIKeyCICYIVYXLYLVCQ-UHFFFAOYSA-N
XLogP1.21
TPSA73.99 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 51.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(4-fluorophenyl)ethyl]-5-methyl-1H-indole-2-carboxamide
CID 36704078
N-(2-hydroxyethyl)-5-methyl-1H-indole-2-carboxamide
CID 89488958
N-hydroxy-5-propyl-1H-indole-2-carboxamide
CID 155672558
5-N,5-N-dimethyl-2-N-propyl-1H-indole-2,5-dicarboxamide
CID 159082495
N-(5-bromo-6-methyl-2-pyridinyl)-5-ethyl-1H-indole-2-carboxamide
CID 2823644
5-ethyl-N-[(3-hydroxy-5-phenylmethoxyphenyl)methyl]-1H-indole-2-carboxamide
CID 142237610
5-amino-N-[(E)-pent-3-enyl]-1H-indole-2-carboxamide
CID 113465240
N-[2-[3-[4-(aminomethyl)phenyl]propyl-methylamino]ethyl]-5-methyl-1H-indole-2-carboxamide
CID 10271027
N-[2-(4-methoxyphenyl)ethyl]-5-nitro-1H-indole-2-carboxamide
CID 127051943
N-[2-(diethylamino)ethyl]-5-iodo-1H-indole-2-carboxamide;hydrochloride
CID 24797317
N-[4-(2-formamidoethylsulfanyl)-3-methylphenyl]-5-methyl-1H-indole-2-carboxamide
CID 144812274
5-N-[2-(methylamino)ethyl]-2-N-[2-[2-(methylamino)ethylcarbamoyl]-1H-indol-5-yl]-1H-indole-2,5-dicarboxamide
CID 58747078

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-N-(2-formamidoethyl)-1H-indole-2-carboxamide?
The IUPAC name of 5-ethyl-N-(2-formamidoethyl)-1H-indole-2-carboxamide (CID 145164495) is 5-ethyl-N-(2-formamidoethyl)-1H-indole-2-carboxamide.
What is the SMILES notation for 5-ethyl-N-(2-formamidoethyl)-1H-indole-2-carboxamide?
The canonical SMILES for 5-ethyl-N-(2-formamidoethyl)-1H-indole-2-carboxamide is CCc1ccc2[nH]c(C(=O)NCCNC=O)cc2c1.
What is the InChIKey of 5-ethyl-N-(2-formamidoethyl)-1H-indole-2-carboxamide?
The InChIKey is CICYIVYXLYLVCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2/c1-2-10-3-4-12-11(7-10)8-13(17-12)14(19)16-6-5-15-9-18/h3-4,7-9,17H,2,5-6H2,1H3,(H,15,18)(H,16,19).
What are the key properties of 5-ethyl-N-(2-formamidoethyl)-1H-indole-2-carboxamide?
5-ethyl-N-(2-formamidoethyl)-1H-indole-2-carboxamide has a molecular weight of 259.31 g/mol, XLogP of 1.21, 6 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-N-(2-formamidoethyl)-1H-indole-2-carboxamide is sourced from PubChem (CID 145164495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).