N-[3-(1H-indol-3-yl)propyl]pyrrolidine-2-carboxamide

C16H21N3O — CID 119320797

IUPACN-[3-(1H-indol-3-yl)propyl]pyrrolidine-2-carboxamide
SMILESO=C(NCCCc1c[nH]c2ccccc12)C1CCCN1
InChIInChI=1S/C16H21N3O/c20-16(15-8-4-9-17-15)18-10-3-5-12-11-19-14-7-2-1-6-13(12)14/h1-2,6-7,11,15,17,19H,3-5,8-10H2,(H,18,20)
InChIKeyPEJSZKGWPUSXGH-UHFFFAOYSA-N
MW271.36 g/mol
LogP1.97
Rot. Bonds5

About N-[3-(1H-indol-3-yl)propyl]pyrrolidine-2-carboxamide

N-[3-(1H-indol-3-yl)propyl]pyrrolidine-2-carboxamide (PubChem CID 119320797) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is N-[3-(1H-indol-3-yl)propyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-[3-(1H-indol-3-yl)propyl]pyrrolidine-2-carboxamide
PubChem CID119320797
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC NameN-[3-(1H-indol-3-yl)propyl]pyrrolidine-2-carboxamide
SMILESO=C(NCCCc1c[nH]c2ccccc12)C1CCCN1
InChIInChI=1S/C16H21N3O/c20-16(15-8-4-9-17-15)18-10-3-5-12-11-19-14-7-2-1-6-13(12)14/h1-2,6-7,11,15,17,19H,3-5,8-10H2,(H,18,20)
InChIKeyPEJSZKGWPUSXGH-UHFFFAOYSA-N
XLogP1.97
TPSA56.92 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 51.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2S)-N-(3-phenylpropyl)pyrrolidine-2-carboxamide
CID 14234527
(2S)-N-[(2S)-3-(1H-indol-3-yl)-1-oxo-1-(tetradecylamino)propan-2-yl]pyrrolidine-2-carboxamide
CID 102458353
N-[2-(7-methyl-1H-indol-3-yl)ethyl]pyrrolidine-2-carboxamide
CID 119322310
N-[2-(1H-indol-3-yl)ethyl]-2-oxopiperidine-3-carboxamide
CID 5020167
1-amino-N-[3-(1H-indol-3-yl)propyl]cyclopentane-1-carboxamide
CID 119320799
1-(3-hydroxypropyl)-3-[3-(1H-indol-3-yl)propyl]urea
CID 111108819
4-hydroxy-N-[2-(1H-indol-3-yl)ethyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119674415
N-[2-(2-methyl-1H-indol-3-yl)ethyl]pyrrolidine-2-carboxamide
CID 119313731
4-hydroxy-N-[2-(1H-indol-3-yl)ethyl]cyclohexane-1-carboxamide
CID 112528864
1-amino-N-[3-(1H-indol-3-yl)propyl]cyclopropane-1-carboxamide
CID 119778812
3-hydroxy-2-[[3-(1H-indol-3-yl)-2-(pyrrolidine-2-carbonylamino)propanoyl]amino]propanoic acid
CID 18223742
(2S)-2-[[(2S)-3-(1H-indol-3-yl)-2-[[(2S)-pyrrolidine-2-carbonyl]amino]propanoyl]amino]propanoic acid
CID 145457602

Frequently Asked Questions

What is the IUPAC name of N-[3-(1H-indol-3-yl)propyl]pyrrolidine-2-carboxamide?
The IUPAC name of N-[3-(1H-indol-3-yl)propyl]pyrrolidine-2-carboxamide (CID 119320797) is N-[3-(1H-indol-3-yl)propyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for N-[3-(1H-indol-3-yl)propyl]pyrrolidine-2-carboxamide?
The canonical SMILES for N-[3-(1H-indol-3-yl)propyl]pyrrolidine-2-carboxamide is O=C(NCCCc1c[nH]c2ccccc12)C1CCCN1.
What is the InChIKey of N-[3-(1H-indol-3-yl)propyl]pyrrolidine-2-carboxamide?
The InChIKey is PEJSZKGWPUSXGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O/c20-16(15-8-4-9-17-15)18-10-3-5-12-11-19-14-7-2-1-6-13(12)14/h1-2,6-7,11,15,17,19H,3-5,8-10H2,(H,18,20).
What are the key properties of N-[3-(1H-indol-3-yl)propyl]pyrrolidine-2-carboxamide?
N-[3-(1H-indol-3-yl)propyl]pyrrolidine-2-carboxamide has a molecular weight of 271.36 g/mol, XLogP of 1.97, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1H-indol-3-yl)propyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 119320797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).