2-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-N-(pyridin-2-ylmethyl)cyclopropane-1-carboxamide

C20H21N3O2 — CID 109136864

IUPAC2-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-N-(pyridin-2-ylmethyl)cyclopropane-1-carboxamide
SMILESO=C(NCc1ccccn1)C1CC1C(=O)N1CCc2ccccc2C1
InChIInChI=1S/C20H21N3O2/c24-19(22-12-16-7-3-4-9-21-16)17-11-18(17)20(25)23-10-8-14-5-1-2-6-15(14)13-23/h1-7,9,17-18H,8,10-13H2,(H,22,24)
InChIKeyNOSHRCIXLATHRL-UHFFFAOYSA-N
MW335.41 g/mol
LogP1.92
Rot. Bonds4

About 2-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-N-(pyridin-2-ylmethyl)cyclopropane-1-carboxamide

2-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-N-(pyridin-2-ylmethyl)cyclopropane-1-carboxamide (PubChem CID 109136864) has the molecular formula C20H21N3O2 and a molecular weight of 335.41 g/mol. Its IUPAC name is 2-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-N-(pyridin-2-ylmethyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Name2-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-N-(pyridin-2-ylmethyl)cyclopropane-1-carboxamide
PubChem CID109136864
Molecular FormulaC20H21N3O2
Molecular Weight335.41 g/mol
Exact Mass335.16
IUPAC Name2-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-N-(pyridin-2-ylmethyl)cyclopropane-1-carboxamide
SMILESO=C(NCc1ccccn1)C1CC1C(=O)N1CCc2ccccc2C1
InChIInChI=1S/C20H21N3O2/c24-19(22-12-16-7-3-4-9-21-16)17-11-18(17)20(25)23-10-8-14-5-1-2-6-15(14)13-23/h1-7,9,17-18H,8,10-13H2,(H,22,24)
InChIKeyNOSHRCIXLATHRL-UHFFFAOYSA-N
XLogP1.92
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-N-(pyridin-2-ylmethyl)cyclopropane-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

2-(4-methylpiperazine-1-carbonyl)-N-(pyridin-2-ylmethyl)cyclopropane-1-carboxamide
CID 109134155
2-(2,3-dihydroindole-1-carbonyl)-N-(pyridin-2-ylmethyl)cyclopropane-1-carboxamide
CID 109136915
2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxo-N-(pyridin-2-ylmethyl)acetamide
CID 108518342
ethyl 4-[2-(pyridin-2-ylmethylcarbamoyl)cyclopropanecarbonyl]piperazine-1-carboxylate
CID 109136883
1-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-N-(pyridin-2-ylmethyl)cyclopropane-1-carboxamide
CID 108976620
2-[4-(furan-2-carbonyl)piperazine-1-carbonyl]-N-(pyridin-2-ylmethyl)cyclopropane-1-carboxamide
CID 109136889
1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(pyridin-2-ylmethylamino)propan-1-one
CID 109023313
N-(1,3-benzodioxol-5-ylmethyl)-2-(3,4-dihydro-1H-isoquinoline-2-carbonyl)cyclopropane-1-carboxamide
CID 109136651
2-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-N-(5-methyl-1,2-oxazol-3-yl)cyclopropane-1-carboxamide
CID 109137578
N-(2,5-dichlorophenyl)-2-(3,4-dihydro-1H-isoquinoline-2-carbonyl)cyclopropane-1-carboxamide
CID 109137565
2-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-N-(3-fluorophenyl)cyclopropane-1-carboxamide
CID 109137554
1-(2,3-dihydro-1H-indene-1-carbonyl)-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide
CID 77090586

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-N-(pyridin-2-ylmethyl)cyclopropane-1-carboxamide?
The IUPAC name of 2-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-N-(pyridin-2-ylmethyl)cyclopropane-1-carboxamide (CID 109136864) is 2-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-N-(pyridin-2-ylmethyl)cyclopropane-1-carboxamide.
What is the SMILES notation for 2-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-N-(pyridin-2-ylmethyl)cyclopropane-1-carboxamide?
The canonical SMILES for 2-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-N-(pyridin-2-ylmethyl)cyclopropane-1-carboxamide is O=C(NCc1ccccn1)C1CC1C(=O)N1CCc2ccccc2C1.
What is the InChIKey of 2-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-N-(pyridin-2-ylmethyl)cyclopropane-1-carboxamide?
The InChIKey is NOSHRCIXLATHRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O2/c24-19(22-12-16-7-3-4-9-21-16)17-11-18(17)20(25)23-10-8-14-5-1-2-6-15(14)13-23/h1-7,9,17-18H,8,10-13H2,(H,22,24).
What are the key properties of 2-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-N-(pyridin-2-ylmethyl)cyclopropane-1-carboxamide?
2-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-N-(pyridin-2-ylmethyl)cyclopropane-1-carboxamide has a molecular weight of 335.41 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-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-N-(pyridin-2-ylmethyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 109136864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).