N-[[6-(3,4-dihydro-1H-isoquinolin-2-yl)-3-pyridinyl]methyl]-3-(oxolan-2-ylmethoxy)propanamide

C23H29N3O3 — CID 87005367

IUPACN-[[6-(3,4-dihydro-1H-isoquinolin-2-yl)-3-pyridinyl]methyl]-3-(oxolan-2-ylmethoxy)propanamide
SMILESO=C(CCOCC1CCCO1)NCc1ccc(N2CCc3ccccc3C2)nc1
InChIInChI=1S/C23H29N3O3/c27-23(10-13-28-17-21-6-3-12-29-21)25-15-18-7-8-22(24-14-18)26-11-9-19-4-1-2-5-20(19)16-26/h1-2,4-5,7-8,14,21H,3,6,9-13,15-17H2,(H,25,27)
InChIKeyUGLFIEOARGMBFH-UHFFFAOYSA-N
MW395.50 g/mol
LogP2.85
Rot. Bonds8

About N-[[6-(3,4-dihydro-1H-isoquinolin-2-yl)-3-pyridinyl]methyl]-3-(oxolan-2-ylmethoxy)propanamide

N-[[6-(3,4-dihydro-1H-isoquinolin-2-yl)-3-pyridinyl]methyl]-3-(oxolan-2-ylmethoxy)propanamide (PubChem CID 87005367) has the molecular formula C23H29N3O3 and a molecular weight of 395.50 g/mol. Its IUPAC name is N-[[6-(3,4-dihydro-1H-isoquinolin-2-yl)-3-pyridinyl]methyl]-3-(oxolan-2-ylmethoxy)propanamide.

Molecular Properties

Compound NameN-[[6-(3,4-dihydro-1H-isoquinolin-2-yl)-3-pyridinyl]methyl]-3-(oxolan-2-ylmethoxy)propanamide
PubChem CID87005367
Molecular FormulaC23H29N3O3
Molecular Weight395.50 g/mol
Exact Mass395.22
IUPAC NameN-[[6-(3,4-dihydro-1H-isoquinolin-2-yl)-3-pyridinyl]methyl]-3-(oxolan-2-ylmethoxy)propanamide
SMILESO=C(CCOCC1CCCO1)NCc1ccc(N2CCc3ccccc3C2)nc1
InChIInChI=1S/C23H29N3O3/c27-23(10-13-28-17-21-6-3-12-29-21)25-15-18-7-8-22(24-14-18)26-11-9-19-4-1-2-5-20(19)16-26/h1-2,4-5,7-8,14,21H,3,6,9-13,15-17H2,(H,25,27)
InChIKeyUGLFIEOARGMBFH-UHFFFAOYSA-N
XLogP2.85
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.50
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-[[6-(3,4-dihydro-1H-isoquinolin-2-yl)-3-pyridinyl]methyl]-3-(oxolan-2-ylmethoxy)propanamide with MolForge

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Launch Full Analysis

Related Compounds

2-[(2S)-oxolan-2-yl]-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]acetamide
CID 94025809
N-[2-[[6-(3,4-dihydro-1H-isoquinolin-2-yl)-3-pyridinyl]methylamino]-2-oxoethyl]-2-phenylacetamide
CID 55858511
2-(4-chlorophenoxy)-N-[[6-(3,4-dihydro-1H-isoquinolin-2-yl)-3-pyridinyl]methyl]acetamide
CID 55801034
3-amino-N-[[6-(3,4-dihydro-1H-isoquinolin-2-yl)-3-pyridinyl]methyl]pyrazine-2-carboxamide
CID 47059036
4-(oxolan-2-ylmethoxy)-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]benzamide
CID 55585097
N-[[6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-pyridinyl]methyl]-3-[(2R)-oxolan-2-yl]propanamide
CID 100851233
N-[[6-(3,4-dihydro-1H-isoquinolin-2-yl)-3-pyridinyl]methyl]-3-[3-(furan-2-yl)prop-2-enoylamino]propanamide
CID 55801454
N-[[6-(3,4-dihydro-1H-isoquinolin-2-yl)-3-pyridinyl]methyl]-6-pyrazol-1-ylpyridine-3-carboxamide
CID 55801262
N-[[6-(3,4-dihydro-1H-isoquinolin-2-yl)-3-pyridinyl]methyl]-4-methylsulfanylbenzamide
CID 78890746
1-[[6-(3,4-dihydro-1H-isoquinolin-2-yl)-3-pyridinyl]methyl]-3-(pyrimidin-2-ylamino)urea
CID 87005106
1-(benzenesulfonyl)-N-[[6-(3,4-dihydro-1H-isoquinolin-2-yl)-3-pyridinyl]methyl]piperidine-3-carboxamide
CID 55801257
6-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[(4-methylphenyl)methyl]pyridine-3-carboxamide
CID 84571049

Frequently Asked Questions

What is the IUPAC name of N-[[6-(3,4-dihydro-1H-isoquinolin-2-yl)-3-pyridinyl]methyl]-3-(oxolan-2-ylmethoxy)propanamide?
The IUPAC name of N-[[6-(3,4-dihydro-1H-isoquinolin-2-yl)-3-pyridinyl]methyl]-3-(oxolan-2-ylmethoxy)propanamide (CID 87005367) is N-[[6-(3,4-dihydro-1H-isoquinolin-2-yl)-3-pyridinyl]methyl]-3-(oxolan-2-ylmethoxy)propanamide.
What is the SMILES notation for N-[[6-(3,4-dihydro-1H-isoquinolin-2-yl)-3-pyridinyl]methyl]-3-(oxolan-2-ylmethoxy)propanamide?
The canonical SMILES for N-[[6-(3,4-dihydro-1H-isoquinolin-2-yl)-3-pyridinyl]methyl]-3-(oxolan-2-ylmethoxy)propanamide is O=C(CCOCC1CCCO1)NCc1ccc(N2CCc3ccccc3C2)nc1.
What is the InChIKey of N-[[6-(3,4-dihydro-1H-isoquinolin-2-yl)-3-pyridinyl]methyl]-3-(oxolan-2-ylmethoxy)propanamide?
The InChIKey is UGLFIEOARGMBFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O3/c27-23(10-13-28-17-21-6-3-12-29-21)25-15-18-7-8-22(24-14-18)26-11-9-19-4-1-2-5-20(19)16-26/h1-2,4-5,7-8,14,21H,3,6,9-13,15-17H2,(H,25,27).
What are the key properties of N-[[6-(3,4-dihydro-1H-isoquinolin-2-yl)-3-pyridinyl]methyl]-3-(oxolan-2-ylmethoxy)propanamide?
N-[[6-(3,4-dihydro-1H-isoquinolin-2-yl)-3-pyridinyl]methyl]-3-(oxolan-2-ylmethoxy)propanamide has a molecular weight of 395.50 g/mol, XLogP of 2.85, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-(3,4-dihydro-1H-isoquinolin-2-yl)-3-pyridinyl]methyl]-3-(oxolan-2-ylmethoxy)propanamide is sourced from PubChem (CID 87005367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).