N-[2-(2-methylindol-1-yl)ethyl]-2,5-dihydro-1H-pyrrole-2-carboxamide;hydrochloride

C16H20ClN3O — CID 154911026

IUPACN-[2-(2-methylindol-1-yl)ethyl]-2,5-dihydro-1H-pyrrole-2-carboxamide;hydrochloride
SMILESCc1cc2ccccc2n1CCNC(=O)C1C=CCN1.Cl
InChIInChI=1S/C16H19N3O.ClH/c1-12-11-13-5-2-3-7-15(13)19(12)10-9-18-16(20)14-6-4-8-17-14;/h2-7,11,14,17H,8-10H2,1H3,(H,18,20);1H
InChIKeyNKFFDTURERWWMF-UHFFFAOYSA-N
MW305.81 g/mol
LogP2.02
Rot. Bonds4

About N-[2-(2-methylindol-1-yl)ethyl]-2,5-dihydro-1H-pyrrole-2-carboxamide;hydrochloride

N-[2-(2-methylindol-1-yl)ethyl]-2,5-dihydro-1H-pyrrole-2-carboxamide;hydrochloride (PubChem CID 154911026) has the molecular formula C16H20ClN3O and a molecular weight of 305.81 g/mol. Its IUPAC name is N-[2-(2-methylindol-1-yl)ethyl]-2,5-dihydro-1H-pyrrole-2-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[2-(2-methylindol-1-yl)ethyl]-2,5-dihydro-1H-pyrrole-2-carboxamide;hydrochloride
PubChem CID154911026
Molecular FormulaC16H20ClN3O
Molecular Weight305.81 g/mol
Exact Mass305.13
IUPAC NameN-[2-(2-methylindol-1-yl)ethyl]-2,5-dihydro-1H-pyrrole-2-carboxamide;hydrochloride
SMILESCc1cc2ccccc2n1CCNC(=O)C1C=CCN1.Cl
InChIInChI=1S/C16H19N3O.ClH/c1-12-11-13-5-2-3-7-15(13)19(12)10-9-18-16(20)14-6-4-8-17-14;/h2-7,11,14,17H,8-10H2,1H3,(H,18,20);1H
InChIKeyNKFFDTURERWWMF-UHFFFAOYSA-N
XLogP2.02
TPSA46.06 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.81
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(2-methylindol-1-yl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 45172641
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N-[2-(2-methylindol-1-yl)ethyl]-2,2-diphenylacetamide
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(2S)-N-[2-(2-methylindol-1-yl)ethyl]-1-(1-methylpiperidin-4-yl)pyrrolidine-2-carboxamide
CID 118782792
4-tert-butyl-N-[2-(2-methylindol-1-yl)ethyl]benzamide
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4-chloro-N-[2-(2-methylindol-1-yl)ethyl]benzamide
CID 3311967
4-bromo-N-[2-(2-methylindol-1-yl)ethyl]benzamide
CID 4144460
1,3-dimethyl-N-[2-(2-methylindol-1-yl)ethyl]-2-oxobenzimidazole-5-carboxamide
CID 90680556
N-[2-(3-methyl-2-oxoquinolin-1-yl)ethyl]-1,3-thiazolidine-4-carboxamide
CID 110741002
2-(3,4-dimethoxyphenyl)-N-[2-(2-methylindol-1-yl)ethyl]acetamide
CID 4690489
2-(1H-indol-3-yl)-N-[2-(2-methylindol-1-yl)ethyl]-2-oxoacetamide
CID 20879509
2-(3,6-dioxo-1,2-dihydropyridazin-4-yl)-N-[2-(2-methylindol-1-yl)ethyl]acetamide
CID 131925524

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methylindol-1-yl)ethyl]-2,5-dihydro-1H-pyrrole-2-carboxamide;hydrochloride?
The IUPAC name of N-[2-(2-methylindol-1-yl)ethyl]-2,5-dihydro-1H-pyrrole-2-carboxamide;hydrochloride (CID 154911026) is N-[2-(2-methylindol-1-yl)ethyl]-2,5-dihydro-1H-pyrrole-2-carboxamide;hydrochloride.
What is the SMILES notation for N-[2-(2-methylindol-1-yl)ethyl]-2,5-dihydro-1H-pyrrole-2-carboxamide;hydrochloride?
The canonical SMILES for N-[2-(2-methylindol-1-yl)ethyl]-2,5-dihydro-1H-pyrrole-2-carboxamide;hydrochloride is Cc1cc2ccccc2n1CCNC(=O)C1C=CCN1.Cl.
What is the InChIKey of N-[2-(2-methylindol-1-yl)ethyl]-2,5-dihydro-1H-pyrrole-2-carboxamide;hydrochloride?
The InChIKey is NKFFDTURERWWMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O.ClH/c1-12-11-13-5-2-3-7-15(13)19(12)10-9-18-16(20)14-6-4-8-17-14;/h2-7,11,14,17H,8-10H2,1H3,(H,18,20);1H.
What are the key properties of N-[2-(2-methylindol-1-yl)ethyl]-2,5-dihydro-1H-pyrrole-2-carboxamide;hydrochloride?
N-[2-(2-methylindol-1-yl)ethyl]-2,5-dihydro-1H-pyrrole-2-carboxamide;hydrochloride has a molecular weight of 305.81 g/mol, XLogP of 2.02, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methylindol-1-yl)ethyl]-2,5-dihydro-1H-pyrrole-2-carboxamide;hydrochloride is sourced from PubChem (CID 154911026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).