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

C19H19N3O2 — CID 108976826

IUPAC1-(2,3-dihydroindole-1-carbonyl)-N-(pyridin-3-ylmethyl)cyclopropane-1-carboxamide
SMILESO=C(NCc1cccnc1)C1(C(=O)N2CCc3ccccc32)CC1
InChIInChI=1S/C19H19N3O2/c23-17(21-13-14-4-3-10-20-12-14)19(8-9-19)18(24)22-11-7-15-5-1-2-6-16(15)22/h1-6,10,12H,7-9,11,13H2,(H,21,23)
InChIKeyBYCNKJHXNMFWBG-UHFFFAOYSA-N
MW321.38 g/mol
LogP2.07
Rot. Bonds4

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

1-(2,3-dihydroindole-1-carbonyl)-N-(pyridin-3-ylmethyl)cyclopropane-1-carboxamide (PubChem CID 108976826) has the molecular formula C19H19N3O2 and a molecular weight of 321.38 g/mol. Its IUPAC name is 1-(2,3-dihydroindole-1-carbonyl)-N-(pyridin-3-ylmethyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-(2,3-dihydroindole-1-carbonyl)-N-(pyridin-3-ylmethyl)cyclopropane-1-carboxamide
PubChem CID108976826
Molecular FormulaC19H19N3O2
Molecular Weight321.38 g/mol
Exact Mass321.15
IUPAC Name1-(2,3-dihydroindole-1-carbonyl)-N-(pyridin-3-ylmethyl)cyclopropane-1-carboxamide
SMILESO=C(NCc1cccnc1)C1(C(=O)N2CCc3ccccc32)CC1
InChIInChI=1S/C19H19N3O2/c23-17(21-13-14-4-3-10-20-12-14)19(8-9-19)18(24)22-11-7-15-5-1-2-6-16(15)22/h1-6,10,12H,7-9,11,13H2,(H,21,23)
InChIKeyBYCNKJHXNMFWBG-UHFFFAOYSA-N
XLogP2.07
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 ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

2-(2,3-dihydroindole-1-carbonyl)-N-(pyridin-3-ylmethyl)cyclopropane-1-carboxamide
CID 109137070
1-N,1-N'-bis(pyridin-3-ylmethyl)cyclopropane-1,1-dicarboxamide
CID 108976772
1-(2,3-dihydroindole-1-carbonyl)-N-[(2-methylphenyl)methyl]cyclopropane-1-carboxamide
CID 108974961
1-(3,4-dihydro-2H-quinoline-1-carbonyl)-N-[(4-fluorophenyl)methyl]cyclopropane-1-carboxamide
CID 108975831
6-(2,3-dihydroindole-1-carbonyl)-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide
CID 109098252
1-(2,3-dihydroindole-1-carbonyl)-N-[(2-methoxyphenyl)methyl]cyclopropane-1-carboxamide
CID 108976201
N-(pyridin-3-ylmethyl)-1-(4-pyridin-2-ylpiperazine-1-carbonyl)cyclopropane-1-carboxamide
CID 108976801
1-N-propyl-1-N'-(pyridin-3-ylmethyl)cyclopropane-1,1-dicarboxamide
CID 108970227
1-N'-benzyl-1-N'-phenyl-1-N-(pyridin-3-ylmethyl)cyclopropane-1,1-dicarboxamide
CID 108976890
1-[(E)-N'-hydroxycarbamimidoyl]-N-(pyridin-3-ylmethyl)cyclopropane-1-carboxamide
CID 80591201
N-[2-(4-chlorophenyl)ethyl]-1-(3,4-dihydro-2H-quinoline-1-carbonyl)cyclopropane-1-carboxamide
CID 108978374
1-N'-[4-(4-methylpiperazin-1-yl)phenyl]-1-N-(pyridin-3-ylmethyl)cyclopropane-1,1-dicarboxamide
CID 108976889

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydroindole-1-carbonyl)-N-(pyridin-3-ylmethyl)cyclopropane-1-carboxamide?
The IUPAC name of 1-(2,3-dihydroindole-1-carbonyl)-N-(pyridin-3-ylmethyl)cyclopropane-1-carboxamide (CID 108976826) is 1-(2,3-dihydroindole-1-carbonyl)-N-(pyridin-3-ylmethyl)cyclopropane-1-carboxamide.
What is the SMILES notation for 1-(2,3-dihydroindole-1-carbonyl)-N-(pyridin-3-ylmethyl)cyclopropane-1-carboxamide?
The canonical SMILES for 1-(2,3-dihydroindole-1-carbonyl)-N-(pyridin-3-ylmethyl)cyclopropane-1-carboxamide is O=C(NCc1cccnc1)C1(C(=O)N2CCc3ccccc32)CC1.
What is the InChIKey of 1-(2,3-dihydroindole-1-carbonyl)-N-(pyridin-3-ylmethyl)cyclopropane-1-carboxamide?
The InChIKey is BYCNKJHXNMFWBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O2/c23-17(21-13-14-4-3-10-20-12-14)19(8-9-19)18(24)22-11-7-15-5-1-2-6-16(15)22/h1-6,10,12H,7-9,11,13H2,(H,21,23).
What are the key properties of 1-(2,3-dihydroindole-1-carbonyl)-N-(pyridin-3-ylmethyl)cyclopropane-1-carboxamide?
1-(2,3-dihydroindole-1-carbonyl)-N-(pyridin-3-ylmethyl)cyclopropane-1-carboxamide has a molecular weight of 321.38 g/mol, XLogP of 2.07, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydroindole-1-carbonyl)-N-(pyridin-3-ylmethyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 108976826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).