N-(3-pyrrol-1-ylpropyl)-1H-indole-2-carboxamide

C16H17N3O — CID 90500503

IUPACN-(3-pyrrol-1-ylpropyl)-1H-indole-2-carboxamide
SMILESO=C(NCCCn1cccc1)c1cc2ccccc2[nH]1
InChIInChI=1S/C16H17N3O/c20-16(17-8-5-11-19-9-3-4-10-19)15-12-13-6-1-2-7-14(13)18-15/h1-4,6-7,9-10,12,18H,5,8,11H2,(H,17,20)
InChIKeyKGBZWPWWIUMHHZ-UHFFFAOYSA-N
MW267.33 g/mol
LogP2.79
Rot. Bonds5

About N-(3-pyrrol-1-ylpropyl)-1H-indole-2-carboxamide

N-(3-pyrrol-1-ylpropyl)-1H-indole-2-carboxamide (PubChem CID 90500503) has the molecular formula C16H17N3O and a molecular weight of 267.33 g/mol. Its IUPAC name is N-(3-pyrrol-1-ylpropyl)-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-(3-pyrrol-1-ylpropyl)-1H-indole-2-carboxamide
PubChem CID90500503
Molecular FormulaC16H17N3O
Molecular Weight267.33 g/mol
Exact Mass267.14
IUPAC NameN-(3-pyrrol-1-ylpropyl)-1H-indole-2-carboxamide
SMILESO=C(NCCCn1cccc1)c1cc2ccccc2[nH]1
InChIInChI=1S/C16H17N3O/c20-16(17-8-5-11-19-9-3-4-10-19)15-12-13-6-1-2-7-14(13)18-15/h1-4,6-7,9-10,12,18H,5,8,11H2,(H,17,20)
InChIKeyKGBZWPWWIUMHHZ-UHFFFAOYSA-N
XLogP2.79
TPSA49.82 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-(3-pyrrol-1-ylpropyl)-1H-indole-2-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-(6-hydroxyhexyl)-1H-indole-2-carboxamide
CID 11492630
N-hex-5-ynyl-1H-indole-2-carboxamide
CID 103758030
N-[2-(dimethylsulfamoyl)ethyl]-1H-indole-2-carboxamide
CID 106340710
N-[3-(2-methoxyethoxy)propyl]-1H-indole-2-carboxamide
CID 51979700
N-(2-piperidin-1-ylethyl)-1H-indole-2-carboxamide
CID 2219273
methyl 6-(1H-indole-2-carbonylamino)hexanoate
CID 43407298
N-[4-(2-methoxyethoxy)butyl]-1H-indole-2-carboxamide
CID 115599717
N-[2-(prop-2-enoylamino)ethyl]-1H-indole-2-carboxamide
CID 146087723
N-[3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl]-1H-indole-2-carboxamide
CID 39990796
N-[3-(2,2,2-trifluoroethoxy)propyl]-1H-indole-2-carboxamide
CID 86930540
N-[3-(4-fluorophenyl)sulfanylpropyl]-1H-indole-2-carboxamide
CID 27802085
N-[(E)-pent-3-enyl]-1H-indole-2-carboxamide
CID 115627991

Frequently Asked Questions

What is the IUPAC name of N-(3-pyrrol-1-ylpropyl)-1H-indole-2-carboxamide?
The IUPAC name of N-(3-pyrrol-1-ylpropyl)-1H-indole-2-carboxamide (CID 90500503) is N-(3-pyrrol-1-ylpropyl)-1H-indole-2-carboxamide.
What is the SMILES notation for N-(3-pyrrol-1-ylpropyl)-1H-indole-2-carboxamide?
The canonical SMILES for N-(3-pyrrol-1-ylpropyl)-1H-indole-2-carboxamide is O=C(NCCCn1cccc1)c1cc2ccccc2[nH]1.
What is the InChIKey of N-(3-pyrrol-1-ylpropyl)-1H-indole-2-carboxamide?
The InChIKey is KGBZWPWWIUMHHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O/c20-16(17-8-5-11-19-9-3-4-10-19)15-12-13-6-1-2-7-14(13)18-15/h1-4,6-7,9-10,12,18H,5,8,11H2,(H,17,20).
What are the key properties of N-(3-pyrrol-1-ylpropyl)-1H-indole-2-carboxamide?
N-(3-pyrrol-1-ylpropyl)-1H-indole-2-carboxamide has a molecular weight of 267.33 g/mol, XLogP of 2.79, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-pyrrol-1-ylpropyl)-1H-indole-2-carboxamide is sourced from PubChem (CID 90500503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).