1-cyclopropyl-N-(1H-indol-2-ylmethyl)-2,5-dimethylpyrrole-3-carboxamide

C19H21N3O — CID 56800366

IUPAC1-cyclopropyl-N-(1H-indol-2-ylmethyl)-2,5-dimethylpyrrole-3-carboxamide
SMILESCc1cc(C(=O)NCc2cc3ccccc3[nH]2)c(C)n1C1CC1
InChIInChI=1S/C19H21N3O/c1-12-9-17(13(2)22(12)16-7-8-16)19(23)20-11-15-10-14-5-3-4-6-18(14)21-15/h3-6,9-10,16,21H,7-8,11H2,1-2H3,(H,20,23)
InChIKeyHPHLROITADIFIA-UHFFFAOYSA-N
MW307.40 g/mol
LogP3.85
Rot. Bonds4

About 1-cyclopropyl-N-(1H-indol-2-ylmethyl)-2,5-dimethylpyrrole-3-carboxamide

1-cyclopropyl-N-(1H-indol-2-ylmethyl)-2,5-dimethylpyrrole-3-carboxamide (PubChem CID 56800366) has the molecular formula C19H21N3O and a molecular weight of 307.40 g/mol. Its IUPAC name is 1-cyclopropyl-N-(1H-indol-2-ylmethyl)-2,5-dimethylpyrrole-3-carboxamide.

Molecular Properties

Compound Name1-cyclopropyl-N-(1H-indol-2-ylmethyl)-2,5-dimethylpyrrole-3-carboxamide
PubChem CID56800366
Molecular FormulaC19H21N3O
Molecular Weight307.40 g/mol
Exact Mass307.17
IUPAC Name1-cyclopropyl-N-(1H-indol-2-ylmethyl)-2,5-dimethylpyrrole-3-carboxamide
SMILESCc1cc(C(=O)NCc2cc3ccccc3[nH]2)c(C)n1C1CC1
InChIInChI=1S/C19H21N3O/c1-12-9-17(13(2)22(12)16-7-8-16)19(23)20-11-15-10-14-5-3-4-6-18(14)21-15/h3-6,9-10,16,21H,7-8,11H2,1-2H3,(H,20,23)
InChIKeyHPHLROITADIFIA-UHFFFAOYSA-N
XLogP3.85
TPSA49.82 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.40
LogP ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-cyclopropyl-N-[(2-fluorophenyl)methyl]-2,5-dimethylpyrrole-3-carboxamide
CID 9456045
1H-indol-2-ylmethylcarbamic acid
CID 68691362
N-(1H-indol-2-ylmethyl)acetamide
CID 66552376
1-cyclopropyl-N-(2-hydroxy-2-thiophen-3-ylpropyl)-2,5-dimethylpyrrole-3-carboxamide
CID 71979802
1-cyclopentyl-N-(1H-indol-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide
CID 71935324
2-(hydroxymethyl)-N-(1H-indol-2-ylmethyl)piperidine-1-carboxamide
CID 119073104
N-[1-(1H-benzimidazol-2-yl)ethyl]-1-cyclohexyl-2,5-dimethylpyrrole-3-carboxamide
CID 55471878
N-(1H-indol-2-ylmethyl)-4-(5-methyl-3,4-dihydropyrazol-2-yl)benzamide
CID 56800368
1-cyclopropyl-2,5-dimethyl-N-(4-methylphenyl)pyrrole-3-carboxamide
CID 17471885
N-(1H-indol-2-ylmethyl)-2-(4-methoxyphenyl)pyrrolidine-1-carboxamide
CID 60605560
4-chloro-N-(1H-indol-2-ylmethyl)-1-methylpyrazole-5-carboxamide
CID 843728
N-(1H-indol-2-ylmethyl)-1-methyl-3-pyridin-3-ylpyrazole-4-carboxamide
CID 154775507

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-N-(1H-indol-2-ylmethyl)-2,5-dimethylpyrrole-3-carboxamide?
The IUPAC name of 1-cyclopropyl-N-(1H-indol-2-ylmethyl)-2,5-dimethylpyrrole-3-carboxamide (CID 56800366) is 1-cyclopropyl-N-(1H-indol-2-ylmethyl)-2,5-dimethylpyrrole-3-carboxamide.
What is the SMILES notation for 1-cyclopropyl-N-(1H-indol-2-ylmethyl)-2,5-dimethylpyrrole-3-carboxamide?
The canonical SMILES for 1-cyclopropyl-N-(1H-indol-2-ylmethyl)-2,5-dimethylpyrrole-3-carboxamide is Cc1cc(C(=O)NCc2cc3ccccc3[nH]2)c(C)n1C1CC1.
What is the InChIKey of 1-cyclopropyl-N-(1H-indol-2-ylmethyl)-2,5-dimethylpyrrole-3-carboxamide?
The InChIKey is HPHLROITADIFIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O/c1-12-9-17(13(2)22(12)16-7-8-16)19(23)20-11-15-10-14-5-3-4-6-18(14)21-15/h3-6,9-10,16,21H,7-8,11H2,1-2H3,(H,20,23).
What are the key properties of 1-cyclopropyl-N-(1H-indol-2-ylmethyl)-2,5-dimethylpyrrole-3-carboxamide?
1-cyclopropyl-N-(1H-indol-2-ylmethyl)-2,5-dimethylpyrrole-3-carboxamide has a molecular weight of 307.40 g/mol, XLogP of 3.85, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-N-(1H-indol-2-ylmethyl)-2,5-dimethylpyrrole-3-carboxamide is sourced from PubChem (CID 56800366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).