N-[1-(5-methylfuran-2-yl)ethyl]-1H-indole-6-carboxamide

C16H16N2O2 — CID 47190593

IUPACN-[1-(5-methylfuran-2-yl)ethyl]-1H-indole-6-carboxamide
SMILESCc1ccc(C(C)NC(=O)c2ccc3cc[nH]c3c2)o1
InChIInChI=1S/C16H16N2O2/c1-10-3-6-15(20-10)11(2)18-16(19)13-5-4-12-7-8-17-14(12)9-13/h3-9,11,17H,1-2H3,(H,18,19)
InChIKeyCDDUNMSSHQRFFL-UHFFFAOYSA-N
MW268.32 g/mol
LogP3.56
Rot. Bonds3

About N-[1-(5-methylfuran-2-yl)ethyl]-1H-indole-6-carboxamide

N-[1-(5-methylfuran-2-yl)ethyl]-1H-indole-6-carboxamide (PubChem CID 47190593) has the molecular formula C16H16N2O2 and a molecular weight of 268.32 g/mol. Its IUPAC name is N-[1-(5-methylfuran-2-yl)ethyl]-1H-indole-6-carboxamide.

Molecular Properties

Compound NameN-[1-(5-methylfuran-2-yl)ethyl]-1H-indole-6-carboxamide
PubChem CID47190593
Molecular FormulaC16H16N2O2
Molecular Weight268.32 g/mol
Exact Mass268.12
IUPAC NameN-[1-(5-methylfuran-2-yl)ethyl]-1H-indole-6-carboxamide
SMILESCc1ccc(C(C)NC(=O)c2ccc3cc[nH]c3c2)o1
InChIInChI=1S/C16H16N2O2/c1-10-3-6-15(20-10)11(2)18-16(19)13-5-4-12-7-8-17-14(12)9-13/h3-9,11,17H,1-2H3,(H,18,19)
InChIKeyCDDUNMSSHQRFFL-UHFFFAOYSA-N
XLogP3.56
TPSA58.03 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-butan-2-yl-1H-indole-6-carboxamide
CID 47190406
4-hydroxy-3-methyl-N-[1-(5-methylfuran-2-yl)ethyl]benzamide
CID 103951699
N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-1H-indole-5-carboxamide
CID 103948958
N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]-1H-indole-6-carboxamide
CID 63022253
N-[(1S)-1-(5-methylfuran-2-yl)ethyl]-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide
CID 95153025
3-fluoro-4-methyl-N-[1-(5-methylfuran-2-yl)ethyl]benzamide
CID 51232444
3-amino-N-[1-(5-methylfuran-2-yl)ethyl]benzamide
CID 43703392
3,4-dimethoxy-N-[1-(5-methylfuran-2-yl)ethyl]benzamide
CID 46494747
N-(4-methoxybutan-2-yl)-1H-indole-6-carboxamide
CID 62640630
3,5-difluoro-N-[1-(5-methylfuran-2-yl)ethyl]benzamide
CID 46443441
N-[(2R)-1-hydroxybutan-2-yl]-1H-indole-6-carboxamide
CID 103920171
N-tert-butyl-1H-indole-6-carboxamide
CID 47299645

Frequently Asked Questions

What is the IUPAC name of N-[1-(5-methylfuran-2-yl)ethyl]-1H-indole-6-carboxamide?
The IUPAC name of N-[1-(5-methylfuran-2-yl)ethyl]-1H-indole-6-carboxamide (CID 47190593) is N-[1-(5-methylfuran-2-yl)ethyl]-1H-indole-6-carboxamide.
What is the SMILES notation for N-[1-(5-methylfuran-2-yl)ethyl]-1H-indole-6-carboxamide?
The canonical SMILES for N-[1-(5-methylfuran-2-yl)ethyl]-1H-indole-6-carboxamide is Cc1ccc(C(C)NC(=O)c2ccc3cc[nH]c3c2)o1.
What is the InChIKey of N-[1-(5-methylfuran-2-yl)ethyl]-1H-indole-6-carboxamide?
The InChIKey is CDDUNMSSHQRFFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O2/c1-10-3-6-15(20-10)11(2)18-16(19)13-5-4-12-7-8-17-14(12)9-13/h3-9,11,17H,1-2H3,(H,18,19).
What are the key properties of N-[1-(5-methylfuran-2-yl)ethyl]-1H-indole-6-carboxamide?
N-[1-(5-methylfuran-2-yl)ethyl]-1H-indole-6-carboxamide has a molecular weight of 268.32 g/mol, XLogP of 3.56, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-methylfuran-2-yl)ethyl]-1H-indole-6-carboxamide is sourced from PubChem (CID 47190593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).