2-(2,3-dihydroindole-1-carbonyl)-N-(pyridin-3-ylmethyl)cyclopropane-1-carboxamide

C19H19N3O2 — CID 109137070

IUPAC2-(2,3-dihydroindole-1-carbonyl)-N-(pyridin-3-ylmethyl)cyclopropane-1-carboxamide
SMILESO=C(NCc1cccnc1)C1CC1C(=O)N1CCc2ccccc21
InChIInChI=1S/C19H19N3O2/c23-18(21-12-13-4-3-8-20-11-13)15-10-16(15)19(24)22-9-7-14-5-1-2-6-17(14)22/h1-6,8,11,15-16H,7,9-10,12H2,(H,21,23)
InChIKeyWPTNEEMYLMJHEE-UHFFFAOYSA-N
MW321.38 g/mol
LogP1.92
Rot. Bonds4

About 2-(2,3-dihydroindole-1-carbonyl)-N-(pyridin-3-ylmethyl)cyclopropane-1-carboxamide

2-(2,3-dihydroindole-1-carbonyl)-N-(pyridin-3-ylmethyl)cyclopropane-1-carboxamide (PubChem CID 109137070) has the molecular formula C19H19N3O2 and a molecular weight of 321.38 g/mol. Its IUPAC name is 2-(2,3-dihydroindole-1-carbonyl)-N-(pyridin-3-ylmethyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Name2-(2,3-dihydroindole-1-carbonyl)-N-(pyridin-3-ylmethyl)cyclopropane-1-carboxamide
PubChem CID109137070
Molecular FormulaC19H19N3O2
Molecular Weight321.38 g/mol
Exact Mass321.15
IUPAC Name2-(2,3-dihydroindole-1-carbonyl)-N-(pyridin-3-ylmethyl)cyclopropane-1-carboxamide
SMILESO=C(NCc1cccnc1)C1CC1C(=O)N1CCc2ccccc21
InChIInChI=1S/C19H19N3O2/c23-18(21-12-13-4-3-8-20-11-13)15-10-16(15)19(24)22-9-7-14-5-1-2-6-17(14)22/h1-6,8,11,15-16H,7,9-10,12H2,(H,21,23)
InChIKeyWPTNEEMYLMJHEE-UHFFFAOYSA-N
XLogP1.92
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,3-dihydroindole-1-carbonyl)-N-(pyridin-2-ylmethyl)cyclopropane-1-carboxamide
CID 109136915
1-(2,3-dihydroindole-1-carbonyl)-N-(pyridin-3-ylmethyl)cyclopropane-1-carboxamide
CID 108976826
6-(2,3-dihydroindole-1-carbonyl)-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide
CID 109098252
2-(4-benzylpiperidine-1-carbonyl)-N-(pyridin-3-ylmethyl)cyclopropane-1-carboxamide
CID 109137057
2-(2,3-dihydroindole-1-carbonyl)-N-[2-(4-fluorophenyl)ethyl]cyclopropane-1-carboxamide
CID 109137724
cis-(1R,2S)-2-(2,3-dihydroindole-1-carbonyl)cyclopropane-1-carboxylate
CID 7101560
2-(2,3-dihydroindole-1-carbonyl)-N-(3-methoxypropyl)cyclopropane-1-carboxamide
CID 109133165
cis-(1S,2R)-N-[[4-(2,3-dihydroindol-1-ylmethyl)phenyl]methyl]-2-pyridin-3-ylcyclopropane-1-carboxamide
CID 98728827
2-(3,4-dihydro-2H-quinoline-1-carbonyl)-N-[(2-fluorophenyl)methyl]cyclopropane-1-carboxamide
CID 109135933
(1R)-2-acetyl-N-(pyridin-3-ylmethyl)-3,4-dihydro-1H-isoquinoline-1-carboxamide
CID 95101655
trans-(1R,2R)-2-(2,3-dihydroindole-1-carbonyl)cyclopropane-1-carboxylic acid
CID 7101559
trans-(1R,2R)-2-(2,3-dihydroindole-1-carbonyl)-N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]cyclohexane-1-carboxamide
CID 37426155

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydroindole-1-carbonyl)-N-(pyridin-3-ylmethyl)cyclopropane-1-carboxamide?
The IUPAC name of 2-(2,3-dihydroindole-1-carbonyl)-N-(pyridin-3-ylmethyl)cyclopropane-1-carboxamide (CID 109137070) is 2-(2,3-dihydroindole-1-carbonyl)-N-(pyridin-3-ylmethyl)cyclopropane-1-carboxamide.
What is the SMILES notation for 2-(2,3-dihydroindole-1-carbonyl)-N-(pyridin-3-ylmethyl)cyclopropane-1-carboxamide?
The canonical SMILES for 2-(2,3-dihydroindole-1-carbonyl)-N-(pyridin-3-ylmethyl)cyclopropane-1-carboxamide is O=C(NCc1cccnc1)C1CC1C(=O)N1CCc2ccccc21.
What is the InChIKey of 2-(2,3-dihydroindole-1-carbonyl)-N-(pyridin-3-ylmethyl)cyclopropane-1-carboxamide?
The InChIKey is WPTNEEMYLMJHEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O2/c23-18(21-12-13-4-3-8-20-11-13)15-10-16(15)19(24)22-9-7-14-5-1-2-6-17(14)22/h1-6,8,11,15-16H,7,9-10,12H2,(H,21,23).
What are the key properties of 2-(2,3-dihydroindole-1-carbonyl)-N-(pyridin-3-ylmethyl)cyclopropane-1-carboxamide?
2-(2,3-dihydroindole-1-carbonyl)-N-(pyridin-3-ylmethyl)cyclopropane-1-carboxamide has a molecular weight of 321.38 g/mol, XLogP of 1.92, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydroindole-1-carbonyl)-N-(pyridin-3-ylmethyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 109137070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).