N-hex-5-ynyl-1H-indole-2-carboxamide

C15H16N2O — CID 103758030

IUPACN-hex-5-ynyl-1H-indole-2-carboxamide
SMILESC#CCCCCNC(=O)c1cc2ccccc2[nH]1
InChIInChI=1S/C15H16N2O/c1-2-3-4-7-10-16-15(18)14-11-12-8-5-6-9-13(12)17-14/h1,5-6,8-9,11,17H,3-4,7,10H2,(H,16,18)
InChIKeyRGLDIKMTFKHPJE-UHFFFAOYSA-N
MW240.31 g/mol
LogP2.70
Rot. Bonds5

About N-hex-5-ynyl-1H-indole-2-carboxamide

N-hex-5-ynyl-1H-indole-2-carboxamide (PubChem CID 103758030) has the molecular formula C15H16N2O and a molecular weight of 240.31 g/mol. Its IUPAC name is N-hex-5-ynyl-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-hex-5-ynyl-1H-indole-2-carboxamide
PubChem CID103758030
Molecular FormulaC15H16N2O
Molecular Weight240.31 g/mol
Exact Mass240.13
IUPAC NameN-hex-5-ynyl-1H-indole-2-carboxamide
SMILESC#CCCCCNC(=O)c1cc2ccccc2[nH]1
InChIInChI=1S/C15H16N2O/c1-2-3-4-7-10-16-15(18)14-11-12-8-5-6-9-13(12)17-14/h1,5-6,8-9,11,17H,3-4,7,10H2,(H,16,18)
InChIKeyRGLDIKMTFKHPJE-UHFFFAOYSA-N
XLogP2.70
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds5
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': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

N-(6-hydroxyhexyl)-1H-indole-2-carboxamide
CID 11492630
methyl 6-(1H-indole-2-carbonylamino)hexanoate
CID 43407298
N-[4-(2-methoxyethoxy)butyl]-1H-indole-2-carboxamide
CID 115599717
N-(3-pyrrol-1-ylpropyl)-1H-indole-2-carboxamide
CID 90500503
N-[3-(2-methoxyethoxy)propyl]-1H-indole-2-carboxamide
CID 51979700
N-(cyanomethyl)-1H-indole-2-carboxamide
CID 61260784
N-[2-(prop-2-enoylamino)ethyl]-1H-indole-2-carboxamide
CID 146087723
N-(2-piperidin-1-ylethyl)-1H-indole-2-carboxamide
CID 2219273
N-[3-(4-fluorophenyl)sulfanylpropyl]-1H-indole-2-carboxamide
CID 27802085
N-[3-(2,2,2-trifluoroethoxy)propyl]-1H-indole-2-carboxamide
CID 86930540
N-hex-5-ynylnaphthalene-1-carboxamide
CID 103757850
N-[(E)-pent-3-enyl]-1H-indole-2-carboxamide
CID 115627991

Frequently Asked Questions

What is the IUPAC name of N-hex-5-ynyl-1H-indole-2-carboxamide?
The IUPAC name of N-hex-5-ynyl-1H-indole-2-carboxamide (CID 103758030) is N-hex-5-ynyl-1H-indole-2-carboxamide.
What is the SMILES notation for N-hex-5-ynyl-1H-indole-2-carboxamide?
The canonical SMILES for N-hex-5-ynyl-1H-indole-2-carboxamide is C#CCCCCNC(=O)c1cc2ccccc2[nH]1.
What is the InChIKey of N-hex-5-ynyl-1H-indole-2-carboxamide?
The InChIKey is RGLDIKMTFKHPJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O/c1-2-3-4-7-10-16-15(18)14-11-12-8-5-6-9-13(12)17-14/h1,5-6,8-9,11,17H,3-4,7,10H2,(H,16,18).
What are the key properties of N-hex-5-ynyl-1H-indole-2-carboxamide?
N-hex-5-ynyl-1H-indole-2-carboxamide has a molecular weight of 240.31 g/mol, XLogP of 2.70, 5 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-hex-5-ynyl-1H-indole-2-carboxamide is sourced from PubChem (CID 103758030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).