N-[2-(1H-indol-3-yl)ethyl]-1H-pyrrole-2-carboxamide

C15H15N3O — CID 51210971

IUPACN-[2-(1H-indol-3-yl)ethyl]-1H-pyrrole-2-carboxamide
SMILESO=C(NCCc1c[nH]c2ccccc12)c1ccc[nH]1
InChIInChI=1S/C15H15N3O/c19-15(14-6-3-8-16-14)17-9-7-11-10-18-13-5-2-1-4-12(11)13/h1-6,8,10,16,18H,7,9H2,(H,17,19)
InChIKeyGCMINVGHMJWUIH-UHFFFAOYSA-N
MW253.31 g/mol
LogP2.47
Rot. Bonds4

About N-[2-(1H-indol-3-yl)ethyl]-1H-pyrrole-2-carboxamide

N-[2-(1H-indol-3-yl)ethyl]-1H-pyrrole-2-carboxamide (PubChem CID 51210971) has the molecular formula C15H15N3O and a molecular weight of 253.31 g/mol. Its IUPAC name is N-[2-(1H-indol-3-yl)ethyl]-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound NameN-[2-(1H-indol-3-yl)ethyl]-1H-pyrrole-2-carboxamide
PubChem CID51210971
Molecular FormulaC15H15N3O
Molecular Weight253.31 g/mol
Exact Mass253.12
IUPAC NameN-[2-(1H-indol-3-yl)ethyl]-1H-pyrrole-2-carboxamide
SMILESO=C(NCCc1c[nH]c2ccccc12)c1ccc[nH]1
InChIInChI=1S/C15H15N3O/c19-15(14-6-3-8-16-14)17-9-7-11-10-18-13-5-2-1-4-12(11)13/h1-6,8,10,16,18H,7,9H2,(H,17,19)
InChIKeyGCMINVGHMJWUIH-UHFFFAOYSA-N
XLogP2.47
TPSA60.68 Ų
H-Bond Donors3
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.31
LogP ≤ 52.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 101

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Related Compounds

1-N,4-N-bis[2-(1H-indol-3-yl)ethyl]benzene-1,4-dicarboxamide
CID 42988811
[2-[2-(1H-indol-3-yl)ethylamino]-2-oxoethyl] 1H-pyrrole-2-carboxylate
CID 8551687
N-[2-(1H-indol-3-yl)ethyl]-2-methyl-1H-pyrrole-3-carboxamide
CID 110695717
3-(1H-indol-3-yl)-N-[2-(1H-indol-3-yl)ethyl]propanamide
CID 10664257
1-(2-hydroxyethyl)-3-[2-(1H-indol-3-yl)ethyl]urea
CID 110894130
N-[2-(1H-indol-3-yl)ethyl]-3,5-dimethoxybenzamide
CID 9120119
3-bromo-2-(bromomethyl)-N-[2-(1H-indol-3-yl)ethyl]propanamide
CID 100943042
N-[2-(1H-indol-3-yl)ethyl]-2-naphthalen-1-ylacetamide
CID 20969018
2-[2-(1H-indol-3-yl)ethylcarbamoyl]cyclohexene-1-carboxylic acid
CID 53270372
6-bromo-N-[2-(1H-indol-3-yl)ethyl]-1H-indole-2-carboxamide
CID 55558900
N-[2-(1H-indol-3-yl)ethyl]-1-methyltriazole-4-carboxamide
CID 45497188
1-N-[2-(1H-indol-3-yl)ethyl]-4-N-prop-2-enylbenzene-1,4-dicarboxamide
CID 109043503

Frequently Asked Questions

What is the IUPAC name of N-[2-(1H-indol-3-yl)ethyl]-1H-pyrrole-2-carboxamide?
The IUPAC name of N-[2-(1H-indol-3-yl)ethyl]-1H-pyrrole-2-carboxamide (CID 51210971) is N-[2-(1H-indol-3-yl)ethyl]-1H-pyrrole-2-carboxamide.
What is the SMILES notation for N-[2-(1H-indol-3-yl)ethyl]-1H-pyrrole-2-carboxamide?
The canonical SMILES for N-[2-(1H-indol-3-yl)ethyl]-1H-pyrrole-2-carboxamide is O=C(NCCc1c[nH]c2ccccc12)c1ccc[nH]1.
What is the InChIKey of N-[2-(1H-indol-3-yl)ethyl]-1H-pyrrole-2-carboxamide?
The InChIKey is GCMINVGHMJWUIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O/c19-15(14-6-3-8-16-14)17-9-7-11-10-18-13-5-2-1-4-12(11)13/h1-6,8,10,16,18H,7,9H2,(H,17,19).
What are the key properties of N-[2-(1H-indol-3-yl)ethyl]-1H-pyrrole-2-carboxamide?
N-[2-(1H-indol-3-yl)ethyl]-1H-pyrrole-2-carboxamide has a molecular weight of 253.31 g/mol, XLogP of 2.47, 4 rotatable bonds, 3 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1H-indol-3-yl)ethyl]-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 51210971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).