N-hex-5-yn-3-yl-1H-indole-2-carboxamide

C15H16N2O — CID 115647369

IUPACN-hex-5-yn-3-yl-1H-indole-2-carboxamide
SMILESC#CCC(CC)NC(=O)c1cc2ccccc2[nH]1
InChIInChI=1S/C15H16N2O/c1-3-7-12(4-2)16-15(18)14-10-11-8-5-6-9-13(11)17-14/h1,5-6,8-10,12,17H,4,7H2,2H3,(H,16,18)
InChIKeyHOOCXPXWLADGMP-UHFFFAOYSA-N
MW240.31 g/mol
LogP2.70
Rot. Bonds4

About N-hex-5-yn-3-yl-1H-indole-2-carboxamide

N-hex-5-yn-3-yl-1H-indole-2-carboxamide (PubChem CID 115647369) has the molecular formula C15H16N2O and a molecular weight of 240.31 g/mol. Its IUPAC name is N-hex-5-yn-3-yl-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-hex-5-yn-3-yl-1H-indole-2-carboxamide
PubChem CID115647369
Molecular FormulaC15H16N2O
Molecular Weight240.31 g/mol
Exact Mass240.13
IUPAC NameN-hex-5-yn-3-yl-1H-indole-2-carboxamide
SMILESC#CCC(CC)NC(=O)c1cc2ccccc2[nH]1
InChIInChI=1S/C15H16N2O/c1-3-7-12(4-2)16-15(18)14-10-11-8-5-6-9-13(11)17-14/h1,5-6,8-10,12,17H,4,7H2,2H3,(H,16,18)
InChIKeyHOOCXPXWLADGMP-UHFFFAOYSA-N
XLogP2.70
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.31
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

methyl 3-(1H-indole-2-carbonylamino)pentanoate
CID 112533189
N-[(1R)-1-cyanoethyl]-1H-indole-2-carboxamide
CID 95253875
N-(4-hydroxybutan-2-yl)-1H-indole-2-carboxamide
CID 81042932
N-hex-5-ynyl-1H-indole-2-carboxamide
CID 103758030
N-(cyanomethyl)-1H-indole-2-carboxamide
CID 61260784
2-[2-(hex-5-yn-3-ylcarbamoyl)phenyl]acetic acid
CID 114199843
N-hex-5-yn-3-yl-2-hydroxy-3-methylbenzamide
CID 113241222
N-[1-(dodecylamino)-3-hydroxy-1-oxobutan-2-yl]-1H-indole-2-carboxamide
CID 123483320
N-[(1R)-1-(3,4-diethoxyphenyl)ethyl]-1H-indole-2-carboxamide
CID 9162190
N-[(2S,3R)-1-(dodecylamino)-3-hydroxy-1-oxobutan-2-yl]-1H-indole-2-carboxamide
CID 90111390
N-(dicyclopropylmethyl)-1H-indole-2-carboxamide
CID 47143820
(2R)-4-hydroxy-2-(1H-indole-2-carbonylamino)butanoic acid
CID 107823080

Frequently Asked Questions

What is the IUPAC name of N-hex-5-yn-3-yl-1H-indole-2-carboxamide?
The IUPAC name of N-hex-5-yn-3-yl-1H-indole-2-carboxamide (CID 115647369) is N-hex-5-yn-3-yl-1H-indole-2-carboxamide.
What is the SMILES notation for N-hex-5-yn-3-yl-1H-indole-2-carboxamide?
The canonical SMILES for N-hex-5-yn-3-yl-1H-indole-2-carboxamide is C#CCC(CC)NC(=O)c1cc2ccccc2[nH]1.
What is the InChIKey of N-hex-5-yn-3-yl-1H-indole-2-carboxamide?
The InChIKey is HOOCXPXWLADGMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O/c1-3-7-12(4-2)16-15(18)14-10-11-8-5-6-9-13(11)17-14/h1,5-6,8-10,12,17H,4,7H2,2H3,(H,16,18).
What are the key properties of N-hex-5-yn-3-yl-1H-indole-2-carboxamide?
N-hex-5-yn-3-yl-1H-indole-2-carboxamide has a molecular weight of 240.31 g/mol, XLogP of 2.70, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-hex-5-yn-3-yl-1H-indole-2-carboxamide is sourced from PubChem (CID 115647369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).