1-ethyl-5-(propanoylamino)indole-2-carboxamide

C14H17N3O2 — CID 90488702

IUPAC1-ethyl-5-(propanoylamino)indole-2-carboxamide
SMILESCCC(=O)Nc1ccc2c(c1)cc(C(N)=O)n2CC
InChIInChI=1S/C14H17N3O2/c1-3-13(18)16-10-5-6-11-9(7-10)8-12(14(15)19)17(11)4-2/h5-8H,3-4H2,1-2H3,(H2,15,19)(H,16,18)
InChIKeyCMUPQDBJNHAKMK-UHFFFAOYSA-N
MW259.31 g/mol
LogP2.11
Rot. Bonds4

About 1-ethyl-5-(propanoylamino)indole-2-carboxamide

1-ethyl-5-(propanoylamino)indole-2-carboxamide (PubChem CID 90488702) has the molecular formula C14H17N3O2 and a molecular weight of 259.31 g/mol. Its IUPAC name is 1-ethyl-5-(propanoylamino)indole-2-carboxamide.

Molecular Properties

Compound Name1-ethyl-5-(propanoylamino)indole-2-carboxamide
PubChem CID90488702
Molecular FormulaC14H17N3O2
Molecular Weight259.31 g/mol
Exact Mass259.13
IUPAC Name1-ethyl-5-(propanoylamino)indole-2-carboxamide
SMILESCCC(=O)Nc1ccc2c(c1)cc(C(N)=O)n2CC
InChIInChI=1S/C14H17N3O2/c1-3-13(18)16-10-5-6-11-9(7-10)8-12(14(15)19)17(11)4-2/h5-8H,3-4H2,1-2H3,(H2,15,19)(H,16,18)
InChIKeyCMUPQDBJNHAKMK-UHFFFAOYSA-N
XLogP2.11
TPSA77.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-[(2-chlorobenzoyl)amino]-1-ethylindole-2-carboxamide
CID 83282724
1-ethyl-5-[(2-fluorobenzoyl)amino]indole-2-carboxamide
CID 83282725
1-ethyl-5-(thiophene-2-carbonylamino)indole-2-carboxamide
CID 83282723
2-amino-N-(1-ethyl-2-methylindol-5-yl)propanamide
CID 131907510
N-[2-(4-ethylpiperazine-1-carbonyl)-1-[(3-fluorophenyl)methyl]indol-5-yl]propanamide
CID 83282151
5-acetamido-1-ethyl-N-[5-(methoxyamino)-2-pyridinyl]indole-2-carboxamide
CID 142226306
1-ethyl-5-(phenylmethoxycarbonylamino)indole-2-carboxylic acid;5-(phenylmethoxycarbonylamino)-1H-indole-2-carboxylic acid
CID 67906306
5-ethyl-1-(2-hydroxyethyl)indole-2-carboxamide
CID 173096782
N-[1-ethyl-2-(pyrrolidine-1-carbonyl)indol-5-yl]-3,4-dimethylbenzamide
CID 83282691
5-[(4-fluorobenzoyl)amino]-1-[(3-fluorophenyl)methyl]indole-2-carboxamide
CID 91634972
1-[(4-tert-butylphenyl)methyl]-5-[[(E)-3-phenylprop-2-enoyl]amino]indole-2-carboxamide
CID 83272478
4-(3,5-dimethylpyrazol-1-yl)-N-(1-ethyl-2-methylindol-5-yl)butanamide
CID 16673218

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-5-(propanoylamino)indole-2-carboxamide?
The IUPAC name of 1-ethyl-5-(propanoylamino)indole-2-carboxamide (CID 90488702) is 1-ethyl-5-(propanoylamino)indole-2-carboxamide.
What is the SMILES notation for 1-ethyl-5-(propanoylamino)indole-2-carboxamide?
The canonical SMILES for 1-ethyl-5-(propanoylamino)indole-2-carboxamide is CCC(=O)Nc1ccc2c(c1)cc(C(N)=O)n2CC.
What is the InChIKey of 1-ethyl-5-(propanoylamino)indole-2-carboxamide?
The InChIKey is CMUPQDBJNHAKMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2/c1-3-13(18)16-10-5-6-11-9(7-10)8-12(14(15)19)17(11)4-2/h5-8H,3-4H2,1-2H3,(H2,15,19)(H,16,18).
What are the key properties of 1-ethyl-5-(propanoylamino)indole-2-carboxamide?
1-ethyl-5-(propanoylamino)indole-2-carboxamide has a molecular weight of 259.31 g/mol, XLogP of 2.11, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-5-(propanoylamino)indole-2-carboxamide is sourced from PubChem (CID 90488702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).