N-pent-1-yn-3-yl-1H-indole-6-carboxamide

C14H14N2O — CID 103579373

IUPACN-pent-1-yn-3-yl-1H-indole-6-carboxamide
SMILESC#CC(CC)NC(=O)c1ccc2cc[nH]c2c1
InChIInChI=1S/C14H14N2O/c1-3-12(4-2)16-14(17)11-6-5-10-7-8-15-13(10)9-11/h1,5-9,12,15H,4H2,2H3,(H,16,17)
InChIKeyYKAXQWKRIDUYMS-UHFFFAOYSA-N
MW226.28 g/mol
LogP2.31
Rot. Bonds3

About N-pent-1-yn-3-yl-1H-indole-6-carboxamide

N-pent-1-yn-3-yl-1H-indole-6-carboxamide (PubChem CID 103579373) has the molecular formula C14H14N2O and a molecular weight of 226.28 g/mol. Its IUPAC name is N-pent-1-yn-3-yl-1H-indole-6-carboxamide.

Molecular Properties

Compound NameN-pent-1-yn-3-yl-1H-indole-6-carboxamide
PubChem CID103579373
Molecular FormulaC14H14N2O
Molecular Weight226.28 g/mol
Exact Mass226.11
IUPAC NameN-pent-1-yn-3-yl-1H-indole-6-carboxamide
SMILESC#CC(CC)NC(=O)c1ccc2cc[nH]c2c1
InChIInChI=1S/C14H14N2O/c1-3-12(4-2)16-14(17)11-6-5-10-7-8-15-13(10)9-11/h1,5-9,12,15H,4H2,2H3,(H,16,17)
InChIKeyYKAXQWKRIDUYMS-UHFFFAOYSA-N
XLogP2.31
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N-pent-1-yn-3-yl-1H-indole-6-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(2R)-1-hydroxybutan-2-yl]-1H-indole-6-carboxamide
CID 103920171
N-butan-2-yl-1H-indole-6-carboxamide
CID 47190406
N-hexan-3-yl-1H-indole-5-carboxamide
CID 63718470
methyl (2R,3R)-2-(1H-indole-6-carbonylamino)-3-methylpentanoate
CID 95357359
N-(4-methoxybutan-2-yl)-1H-indole-6-carboxamide
CID 62640630
(2S,3S)-2-(1H-indole-5-carbonylamino)-3-methylpentanoic acid
CID 7096551
N-octan-4-yl-1H-indole-6-carboxamide
CID 106025028
(2R)-3-hydroxy-2-(1H-indole-6-carbonylamino)propanoic acid
CID 80750330
(2S)-3-hydroxy-2-(1H-indole-6-carbonylamino)propanoic acid
CID 55230988
N-(3-methylbutan-2-yl)-1H-indole-5-carboxamide
CID 63718611
N-prop-2-ynyl-1H-indole-5-carboxamide
CID 63717307
N-octan-2-yl-1H-indole-5-carboxamide
CID 63716567

Frequently Asked Questions

What is the IUPAC name of N-pent-1-yn-3-yl-1H-indole-6-carboxamide?
The IUPAC name of N-pent-1-yn-3-yl-1H-indole-6-carboxamide (CID 103579373) is N-pent-1-yn-3-yl-1H-indole-6-carboxamide.
What is the SMILES notation for N-pent-1-yn-3-yl-1H-indole-6-carboxamide?
The canonical SMILES for N-pent-1-yn-3-yl-1H-indole-6-carboxamide is C#CC(CC)NC(=O)c1ccc2cc[nH]c2c1.
What is the InChIKey of N-pent-1-yn-3-yl-1H-indole-6-carboxamide?
The InChIKey is YKAXQWKRIDUYMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O/c1-3-12(4-2)16-14(17)11-6-5-10-7-8-15-13(10)9-11/h1,5-9,12,15H,4H2,2H3,(H,16,17).
What are the key properties of N-pent-1-yn-3-yl-1H-indole-6-carboxamide?
N-pent-1-yn-3-yl-1H-indole-6-carboxamide has a molecular weight of 226.28 g/mol, XLogP of 2.31, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-pent-1-yn-3-yl-1H-indole-6-carboxamide is sourced from PubChem (CID 103579373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).