N-(1H-indol-5-yl)-3-propylpyrrolidine-3-carboxamide

C16H21N3O — CID 63141613

IUPACN-(1H-indol-5-yl)-3-propylpyrrolidine-3-carboxamide
SMILESCCCC1(C(=O)Nc2ccc3[nH]ccc3c2)CCNC1
InChIInChI=1S/C16H21N3O/c1-2-6-16(7-9-17-11-16)15(20)19-13-3-4-14-12(10-13)5-8-18-14/h3-5,8,10,17-18H,2,6-7,9,11H2,1H3,(H,19,20)
InChIKeyTVFAONPTHUSAET-UHFFFAOYSA-N
MW271.36 g/mol
LogP2.89
Rot. Bonds4

About N-(1H-indol-5-yl)-3-propylpyrrolidine-3-carboxamide

N-(1H-indol-5-yl)-3-propylpyrrolidine-3-carboxamide (PubChem CID 63141613) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is N-(1H-indol-5-yl)-3-propylpyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(1H-indol-5-yl)-3-propylpyrrolidine-3-carboxamide
PubChem CID63141613
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC NameN-(1H-indol-5-yl)-3-propylpyrrolidine-3-carboxamide
SMILESCCCC1(C(=O)Nc2ccc3[nH]ccc3c2)CCNC1
InChIInChI=1S/C16H21N3O/c1-2-6-16(7-9-17-11-16)15(20)19-13-3-4-14-12(10-13)5-8-18-14/h3-5,8,10,17-18H,2,6-7,9,11H2,1H3,(H,19,20)
InChIKeyTVFAONPTHUSAET-UHFFFAOYSA-N
XLogP2.89
TPSA56.92 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 52.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-hydroxyphenyl)-3-propylpyrrolidine-3-carboxamide
CID 63139935
1-(aminomethyl)-N-(1H-indol-5-yl)cyclopentane-1-carboxamide
CID 81489854
N-(3-bromophenyl)-3-propylpyrrolidine-3-carboxamide
CID 55164937
N-(3-carbamoyl-4-chlorophenyl)-3-propylpyrrolidine-3-carboxamide
CID 63139068
N-[3-(methylcarbamoyl)phenyl]-3-propylpyrrolidine-3-carboxamide
CID 63141667
N-(2,3-dihydro-1-benzofuran-5-yl)-3-propylpyrrolidine-3-carboxamide
CID 63140119
N-(1-benzothiophen-5-yl)-3-propylpiperidine-3-carboxamide
CID 63130559
[3-(3,3-dimethylbutyl)pyrrolidin-3-yl]-(1H-indol-5-yl)methanone
CID 59744791
(3S)-3-ethyl-N-(1H-indazol-5-yl)pyrrolidine-3-carboxamide
CID 95018921
N-(1H-indol-5-yl)-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 120921174
1-[2-(1H-indol-5-ylamino)-2-oxoethyl]cyclopentane-1-carboxylic acid
CID 60941797
N-(3-ethynylphenyl)-3-propylpiperidine-3-carboxamide
CID 63132227

Frequently Asked Questions

What is the IUPAC name of N-(1H-indol-5-yl)-3-propylpyrrolidine-3-carboxamide?
The IUPAC name of N-(1H-indol-5-yl)-3-propylpyrrolidine-3-carboxamide (CID 63141613) is N-(1H-indol-5-yl)-3-propylpyrrolidine-3-carboxamide.
What is the SMILES notation for N-(1H-indol-5-yl)-3-propylpyrrolidine-3-carboxamide?
The canonical SMILES for N-(1H-indol-5-yl)-3-propylpyrrolidine-3-carboxamide is CCCC1(C(=O)Nc2ccc3[nH]ccc3c2)CCNC1.
What is the InChIKey of N-(1H-indol-5-yl)-3-propylpyrrolidine-3-carboxamide?
The InChIKey is TVFAONPTHUSAET-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O/c1-2-6-16(7-9-17-11-16)15(20)19-13-3-4-14-12(10-13)5-8-18-14/h3-5,8,10,17-18H,2,6-7,9,11H2,1H3,(H,19,20).
What are the key properties of N-(1H-indol-5-yl)-3-propylpyrrolidine-3-carboxamide?
N-(1H-indol-5-yl)-3-propylpyrrolidine-3-carboxamide has a molecular weight of 271.36 g/mol, XLogP of 2.89, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-indol-5-yl)-3-propylpyrrolidine-3-carboxamide is sourced from PubChem (CID 63141613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).