5-amino-N-ethyl-N-(furan-2-ylmethyl)-1H-indole-2-carboxamide

C16H17N3O2 — CID 62056822

IUPAC5-amino-N-ethyl-N-(furan-2-ylmethyl)-1H-indole-2-carboxamide
SMILESCCN(Cc1ccco1)C(=O)c1cc2cc(N)ccc2[nH]1
InChIInChI=1S/C16H17N3O2/c1-2-19(10-13-4-3-7-21-13)16(20)15-9-11-8-12(17)5-6-14(11)18-15/h3-9,18H,2,10,17H2,1H3
InChIKeyNGWAIGQVLCTQBY-UHFFFAOYSA-N
MW283.33 g/mol
LogP3.01
Rot. Bonds4

About 5-amino-N-ethyl-N-(furan-2-ylmethyl)-1H-indole-2-carboxamide

5-amino-N-ethyl-N-(furan-2-ylmethyl)-1H-indole-2-carboxamide (PubChem CID 62056822) has the molecular formula C16H17N3O2 and a molecular weight of 283.33 g/mol. Its IUPAC name is 5-amino-N-ethyl-N-(furan-2-ylmethyl)-1H-indole-2-carboxamide.

Molecular Properties

Compound Name5-amino-N-ethyl-N-(furan-2-ylmethyl)-1H-indole-2-carboxamide
PubChem CID62056822
Molecular FormulaC16H17N3O2
Molecular Weight283.33 g/mol
Exact Mass283.13
IUPAC Name5-amino-N-ethyl-N-(furan-2-ylmethyl)-1H-indole-2-carboxamide
SMILESCCN(Cc1ccco1)C(=O)c1cc2cc(N)ccc2[nH]1
InChIInChI=1S/C16H17N3O2/c1-2-19(10-13-4-3-7-21-13)16(20)15-9-11-8-12(17)5-6-14(11)18-15/h3-9,18H,2,10,17H2,1H3
InChIKeyNGWAIGQVLCTQBY-UHFFFAOYSA-N
XLogP3.01
TPSA75.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-chloro-N-ethyl-N-(furan-2-ylmethyl)-1H-indole-2-carboxamide
CID 47024404
5-amino-N-ethyl-N-[2-(methylamino)-2-oxoethyl]-1H-indole-2-carboxamide
CID 63117755
3-amino-N-ethyl-N-(furan-2-ylmethyl)-1H-pyrazole-5-carboxamide
CID 64525222
5-amino-N-ethyl-N-methyl-1H-indole-2-carboxamide
CID 63117893
5-bromo-N,N-diethyl-1H-indole-2-carboxamide
CID 46555997
5-amino-N-butyl-N-methyl-1H-indole-2-carboxamide
CID 62058452
2-amino-6-ethoxy-N-ethyl-N-(furan-2-ylmethyl)benzamide
CID 81394645
3-amino-5-ethoxy-N-ethyl-N-(furan-2-ylmethyl)benzamide
CID 81093317
N-ethyl-5-fluoro-N-(thiophen-2-ylmethyl)-1H-indole-2-carboxamide
CID 32647564
N-ethyl-N-(furan-2-ylmethyl)-3-hydroxybenzamide
CID 61421066
1-(5-amino-1H-indol-2-yl)ethanone
CID 59837588
ethyl 2-[(5-amino-1H-indole-2-carbonyl)-methylamino]acetate
CID 63118284

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-ethyl-N-(furan-2-ylmethyl)-1H-indole-2-carboxamide?
The IUPAC name of 5-amino-N-ethyl-N-(furan-2-ylmethyl)-1H-indole-2-carboxamide (CID 62056822) is 5-amino-N-ethyl-N-(furan-2-ylmethyl)-1H-indole-2-carboxamide.
What is the SMILES notation for 5-amino-N-ethyl-N-(furan-2-ylmethyl)-1H-indole-2-carboxamide?
The canonical SMILES for 5-amino-N-ethyl-N-(furan-2-ylmethyl)-1H-indole-2-carboxamide is CCN(Cc1ccco1)C(=O)c1cc2cc(N)ccc2[nH]1.
What is the InChIKey of 5-amino-N-ethyl-N-(furan-2-ylmethyl)-1H-indole-2-carboxamide?
The InChIKey is NGWAIGQVLCTQBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O2/c1-2-19(10-13-4-3-7-21-13)16(20)15-9-11-8-12(17)5-6-14(11)18-15/h3-9,18H,2,10,17H2,1H3.
What are the key properties of 5-amino-N-ethyl-N-(furan-2-ylmethyl)-1H-indole-2-carboxamide?
5-amino-N-ethyl-N-(furan-2-ylmethyl)-1H-indole-2-carboxamide has a molecular weight of 283.33 g/mol, XLogP of 3.01, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-ethyl-N-(furan-2-ylmethyl)-1H-indole-2-carboxamide is sourced from PubChem (CID 62056822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).