1'-(2-methylpropyl)-2'-oxo-N-(pyridin-3-ylmethyl)spiro[cyclopropane-2,3'-indole]-1-carboxamide

C21H23N3O2 — CID 131648614

IUPAC1'-(2-methylpropyl)-2'-oxo-N-(pyridin-3-ylmethyl)spiro[cyclopropane-2,3'-indole]-1-carboxamide
SMILESCC(C)CN1C(=O)C2(CC2C(=O)NCc2cccnc2)c2ccccc21
InChIInChI=1S/C21H23N3O2/c1-14(2)13-24-18-8-4-3-7-16(18)21(20(24)26)10-17(21)19(25)23-12-15-6-5-9-22-11-15/h3-9,11,14,17H,10,12-13H2,1-2H3,(H,23,25)
InChIKeyAWBSIKDFNDULOQ-UHFFFAOYSA-N
MW349.43 g/mol
LogP2.66
Rot. Bonds5

About 1'-(2-methylpropyl)-2'-oxo-N-(pyridin-3-ylmethyl)spiro[cyclopropane-2,3'-indole]-1-carboxamide

1'-(2-methylpropyl)-2'-oxo-N-(pyridin-3-ylmethyl)spiro[cyclopropane-2,3'-indole]-1-carboxamide (PubChem CID 131648614) has the molecular formula C21H23N3O2 and a molecular weight of 349.43 g/mol. Its IUPAC name is 1'-(2-methylpropyl)-2'-oxo-N-(pyridin-3-ylmethyl)spiro[cyclopropane-2,3'-indole]-1-carboxamide.

Molecular Properties

Compound Name1'-(2-methylpropyl)-2'-oxo-N-(pyridin-3-ylmethyl)spiro[cyclopropane-2,3'-indole]-1-carboxamide
PubChem CID131648614
Molecular FormulaC21H23N3O2
Molecular Weight349.43 g/mol
Exact Mass349.18
IUPAC Name1'-(2-methylpropyl)-2'-oxo-N-(pyridin-3-ylmethyl)spiro[cyclopropane-2,3'-indole]-1-carboxamide
SMILESCC(C)CN1C(=O)C2(CC2C(=O)NCc2cccnc2)c2ccccc21
InChIInChI=1S/C21H23N3O2/c1-14(2)13-24-18-8-4-3-7-16(18)21(20(24)26)10-17(21)19(25)23-12-15-6-5-9-22-11-15/h3-9,11,14,17H,10,12-13H2,1-2H3,(H,23,25)
InChIKeyAWBSIKDFNDULOQ-UHFFFAOYSA-N
XLogP2.66
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.43
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1'-(2-methylpropyl)-2'-oxo-N-(pyridin-3-ylmethyl)spiro[cyclopropane-2,3'-indole]-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1R)-2,2-diphenyl-N-(pyridin-3-ylmethyl)cyclopropane-1-carboxamide
CID 683234
N-[2-(dimethylamino)ethyl]-1'-(2-methylpropyl)-2'-oxospiro[cyclopropane-2,3'-indole]-1-carboxamide;2,2,2-trifluoroacetic acid
CID 155836128
2-(2-methylpropyl)-1-oxo-N-(pyridin-3-ylmethyl)-3,4-dihydropyrrolo[1,2-a]pyrazine-3-carboxamide
CID 91919725
1-N-benzyl-4-N-(pyridin-3-ylmethyl)cyclohexane-1,4-dicarboxamide
CID 109147891
6-benzyl-N-(pyridin-3-ylmethyl)-6-azaspiro[2.5]octane-2-carboxamide
CID 126462699
(3R,4R)-4-amino-1-methyl-N-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide
CID 89470272
(2S,3S)-N-(pyridin-3-ylmethyl)-5-azaspiro[2.4]heptane-2-carboxamide
CID 97492624
N-(pyridin-3-ylmethyl)-5-azaspiro[2.4]heptane-2-carboxamide
CID 121229553
3-amino-N-(pyridin-3-ylmethyl)cyclopentane-1-carboxamide
CID 66030290
N-(pyridin-3-ylmethyl)cyclopentanecarboxamide
CID 595870
N-(pyridin-3-ylmethyl)cyclobutanecarboxamide
CID 25236359
(2S)-2-[(3aS,7aS)-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl]-N-(pyridin-3-ylmethyl)propanamide
CID 11939645

Frequently Asked Questions

What is the IUPAC name of 1'-(2-methylpropyl)-2'-oxo-N-(pyridin-3-ylmethyl)spiro[cyclopropane-2,3'-indole]-1-carboxamide?
The IUPAC name of 1'-(2-methylpropyl)-2'-oxo-N-(pyridin-3-ylmethyl)spiro[cyclopropane-2,3'-indole]-1-carboxamide (CID 131648614) is 1'-(2-methylpropyl)-2'-oxo-N-(pyridin-3-ylmethyl)spiro[cyclopropane-2,3'-indole]-1-carboxamide.
What is the SMILES notation for 1'-(2-methylpropyl)-2'-oxo-N-(pyridin-3-ylmethyl)spiro[cyclopropane-2,3'-indole]-1-carboxamide?
The canonical SMILES for 1'-(2-methylpropyl)-2'-oxo-N-(pyridin-3-ylmethyl)spiro[cyclopropane-2,3'-indole]-1-carboxamide is CC(C)CN1C(=O)C2(CC2C(=O)NCc2cccnc2)c2ccccc21.
What is the InChIKey of 1'-(2-methylpropyl)-2'-oxo-N-(pyridin-3-ylmethyl)spiro[cyclopropane-2,3'-indole]-1-carboxamide?
The InChIKey is AWBSIKDFNDULOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O2/c1-14(2)13-24-18-8-4-3-7-16(18)21(20(24)26)10-17(21)19(25)23-12-15-6-5-9-22-11-15/h3-9,11,14,17H,10,12-13H2,1-2H3,(H,23,25).
What are the key properties of 1'-(2-methylpropyl)-2'-oxo-N-(pyridin-3-ylmethyl)spiro[cyclopropane-2,3'-indole]-1-carboxamide?
1'-(2-methylpropyl)-2'-oxo-N-(pyridin-3-ylmethyl)spiro[cyclopropane-2,3'-indole]-1-carboxamide has a molecular weight of 349.43 g/mol, XLogP of 2.66, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-(2-methylpropyl)-2'-oxo-N-(pyridin-3-ylmethyl)spiro[cyclopropane-2,3'-indole]-1-carboxamide is sourced from PubChem (CID 131648614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).