(1R)-N-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)-3-pyridinyl]methyl]-2,2-diethylcyclopropane-1-carboxamide

C23H29N3O — CID 95219729

IUPAC(1R)-N-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)-3-pyridinyl]methyl]-2,2-diethylcyclopropane-1-carboxamide
SMILESCCC1(CC)C[C@H]1C(=O)NCc1cccnc1N1CCc2ccccc2C1
InChIInChI=1S/C23H29N3O/c1-3-23(4-2)14-20(23)22(27)25-15-18-10-7-12-24-21(18)26-13-11-17-8-5-6-9-19(17)16-26/h5-10,12,20H,3-4,11,13-16H2,1-2H3,(H,25,27)/t20-/m0/s1
InChIKeyKGSLDIKKZBBAKP-FQEVSTJZSA-N
MW363.51 g/mol
LogP4.09
Rot. Bonds6

About (1R)-N-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)-3-pyridinyl]methyl]-2,2-diethylcyclopropane-1-carboxamide

(1R)-N-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)-3-pyridinyl]methyl]-2,2-diethylcyclopropane-1-carboxamide (PubChem CID 95219729) has the molecular formula C23H29N3O and a molecular weight of 363.51 g/mol. Its IUPAC name is (1R)-N-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)-3-pyridinyl]methyl]-2,2-diethylcyclopropane-1-carboxamide.

Molecular Properties

Compound Name(1R)-N-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)-3-pyridinyl]methyl]-2,2-diethylcyclopropane-1-carboxamide
PubChem CID95219729
Molecular FormulaC23H29N3O
Molecular Weight363.51 g/mol
Exact Mass363.23
IUPAC Name(1R)-N-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)-3-pyridinyl]methyl]-2,2-diethylcyclopropane-1-carboxamide
SMILESCCC1(CC)C[C@H]1C(=O)NCc1cccnc1N1CCc2ccccc2C1
InChIInChI=1S/C23H29N3O/c1-3-23(4-2)14-20(23)22(27)25-15-18-10-7-12-24-21(18)26-13-11-17-8-5-6-9-19(17)16-26/h5-10,12,20H,3-4,11,13-16H2,1-2H3,(H,25,27)/t20-/m0/s1
InChIKeyKGSLDIKKZBBAKP-FQEVSTJZSA-N
XLogP4.09
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.51
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (1R)-N-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)-3-pyridinyl]methyl]-2,2-diethylcyclopropane-1-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

N-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)-3-pyridinyl]methyl]pyrimidin-2-amine
CID 56745376
N-[[2-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)-3-pyridinyl]methyl]ethanamine
CID 63152821
2-[3-(bromomethyl)-2-pyridinyl]-3,4-dihydro-1H-isoquinoline
CID 114056909
5-chloro-N-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)-3-pyridinyl]methyl]-6-oxo-1H-pyridine-3-carboxamide
CID 56741346
6-cyclopropyl-N-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)-3-pyridinyl]methyl]pyrimidin-4-amine
CID 56749686
(2S)-1-acetyl-N-[(2-pyrrolidin-1-yl-3-pyridinyl)methyl]-2,3-dihydroindole-2-carboxamide
CID 155952931
(2S,6S)-2,6-dimethyl-N-[[2-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]morpholine-4-carboxamide
CID 95176272
1-[3-[[[3,4-dihydro-1H-isoquinolin-2-yl(ethylamino)methylidene]amino]methyl]-2-pyridinyl]piperidine-4-carboxamide;hydroiodide
CID 110947425
1-ethyl-3-[(2-morpholin-4-yl-3-pyridinyl)methyl]urea
CID 47226420
N-cyclopentyl-2-(3,4-dihydro-1H-isoquinolin-2-yl)pyridine-3-carboxamide
CID 84574711
3-[3-(bromomethyl)-2-pyridinyl]-1,2,4,5-tetrahydro-3-benzazepine
CID 114056963
N-[[2-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]pyrrolidine-3-carboxamide
CID 119902780

Frequently Asked Questions

What is the IUPAC name of (1R)-N-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)-3-pyridinyl]methyl]-2,2-diethylcyclopropane-1-carboxamide?
The IUPAC name of (1R)-N-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)-3-pyridinyl]methyl]-2,2-diethylcyclopropane-1-carboxamide (CID 95219729) is (1R)-N-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)-3-pyridinyl]methyl]-2,2-diethylcyclopropane-1-carboxamide.
What is the SMILES notation for (1R)-N-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)-3-pyridinyl]methyl]-2,2-diethylcyclopropane-1-carboxamide?
The canonical SMILES for (1R)-N-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)-3-pyridinyl]methyl]-2,2-diethylcyclopropane-1-carboxamide is CCC1(CC)C[C@H]1C(=O)NCc1cccnc1N1CCc2ccccc2C1.
What is the InChIKey of (1R)-N-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)-3-pyridinyl]methyl]-2,2-diethylcyclopropane-1-carboxamide?
The InChIKey is KGSLDIKKZBBAKP-FQEVSTJZSA-N. The full InChI is InChI=1S/C23H29N3O/c1-3-23(4-2)14-20(23)22(27)25-15-18-10-7-12-24-21(18)26-13-11-17-8-5-6-9-19(17)16-26/h5-10,12,20H,3-4,11,13-16H2,1-2H3,(H,25,27)/t20-/m0/s1.
What are the key properties of (1R)-N-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)-3-pyridinyl]methyl]-2,2-diethylcyclopropane-1-carboxamide?
(1R)-N-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)-3-pyridinyl]methyl]-2,2-diethylcyclopropane-1-carboxamide has a molecular weight of 363.51 g/mol, XLogP of 4.09, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-N-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)-3-pyridinyl]methyl]-2,2-diethylcyclopropane-1-carboxamide is sourced from PubChem (CID 95219729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).