6-(3,4-dihydro-1H-isoquinolin-2-yl)-N,N-bis(prop-2-enyl)pyridine-3-carboxamide

C21H23N3O — CID 84571048

IUPAC6-(3,4-dihydro-1H-isoquinolin-2-yl)-N,N-bis(prop-2-enyl)pyridine-3-carboxamide
SMILESC=CCN(CC=C)C(=O)c1ccc(N2CCc3ccccc3C2)nc1
InChIInChI=1S/C21H23N3O/c1-3-12-23(13-4-2)21(25)18-9-10-20(22-15-18)24-14-11-17-7-5-6-8-19(17)16-24/h3-10,15H,1-2,11-14,16H2
InChIKeyPRFLVBWCNHSLIB-UHFFFAOYSA-N
MW333.44 g/mol
LogP3.46
Rot. Bonds6

About 6-(3,4-dihydro-1H-isoquinolin-2-yl)-N,N-bis(prop-2-enyl)pyridine-3-carboxamide

6-(3,4-dihydro-1H-isoquinolin-2-yl)-N,N-bis(prop-2-enyl)pyridine-3-carboxamide (PubChem CID 84571048) has the molecular formula C21H23N3O and a molecular weight of 333.44 g/mol. Its IUPAC name is 6-(3,4-dihydro-1H-isoquinolin-2-yl)-N,N-bis(prop-2-enyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name6-(3,4-dihydro-1H-isoquinolin-2-yl)-N,N-bis(prop-2-enyl)pyridine-3-carboxamide
PubChem CID84571048
Molecular FormulaC21H23N3O
Molecular Weight333.44 g/mol
Exact Mass333.18
IUPAC Name6-(3,4-dihydro-1H-isoquinolin-2-yl)-N,N-bis(prop-2-enyl)pyridine-3-carboxamide
SMILESC=CCN(CC=C)C(=O)c1ccc(N2CCc3ccccc3C2)nc1
InChIInChI=1S/C21H23N3O/c1-3-12-23(13-4-2)21(25)18-9-10-20(22-15-18)24-14-11-17-7-5-6-8-19(17)16-24/h3-10,15H,1-2,11-14,16H2
InChIKeyPRFLVBWCNHSLIB-UHFFFAOYSA-N
XLogP3.46
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.44
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(3,4-dihydro-1H-isoquinolin-2-yl)-N,N-bis(prop-2-enyl)pyridine-4-carboxamide
CID 84574526
6-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[(4-methylphenyl)methyl]pyridine-3-carboxamide
CID 84571049
[6-(3,4-dihydro-1H-isoquinolin-2-yl)-3-pyridinyl]-(4-ethylpiperazin-1-yl)methanone
CID 84570648
6-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(2,2-dimethoxyethyl)pyridine-3-carboxamide
CID 84570649
6-(3,4-dihydro-1H-isoquinolin-2-yl)-N'-hydroxypyridine-3-carboximidamide
CID 24695377
N-(4-acetamidophenyl)-6-(3,4-dihydro-1H-isoquinolin-2-yl)pyridine-3-carboxamide
CID 109158394
6-(3,4-dihydro-1H-isoquinolin-2-yl)-4-methylpyridine-3-carboxylic acid
CID 102545800
N-[[6-(3,4-dihydro-1H-isoquinolin-2-yl)-3-pyridinyl]methyl]-6-pyrazol-1-ylpyridine-3-carboxamide
CID 55801262
6-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(4-ethoxyphenyl)pyridine-3-carboxamide
CID 109158381
N-[[6-(3,4-dihydro-1H-isoquinolin-2-yl)-3-pyridinyl]methyl]-4-methylsulfanylbenzamide
CID 78890746
2-(3,4-dihydro-1H-isoquinolin-2-yl)pyrimidine-5-carboxylic acid
CID 82299175
4-chloro-N-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]-N-prop-2-enylbenzamide
CID 143696048

Frequently Asked Questions

What is the IUPAC name of 6-(3,4-dihydro-1H-isoquinolin-2-yl)-N,N-bis(prop-2-enyl)pyridine-3-carboxamide?
The IUPAC name of 6-(3,4-dihydro-1H-isoquinolin-2-yl)-N,N-bis(prop-2-enyl)pyridine-3-carboxamide (CID 84571048) is 6-(3,4-dihydro-1H-isoquinolin-2-yl)-N,N-bis(prop-2-enyl)pyridine-3-carboxamide.
What is the SMILES notation for 6-(3,4-dihydro-1H-isoquinolin-2-yl)-N,N-bis(prop-2-enyl)pyridine-3-carboxamide?
The canonical SMILES for 6-(3,4-dihydro-1H-isoquinolin-2-yl)-N,N-bis(prop-2-enyl)pyridine-3-carboxamide is C=CCN(CC=C)C(=O)c1ccc(N2CCc3ccccc3C2)nc1.
What is the InChIKey of 6-(3,4-dihydro-1H-isoquinolin-2-yl)-N,N-bis(prop-2-enyl)pyridine-3-carboxamide?
The InChIKey is PRFLVBWCNHSLIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O/c1-3-12-23(13-4-2)21(25)18-9-10-20(22-15-18)24-14-11-17-7-5-6-8-19(17)16-24/h3-10,15H,1-2,11-14,16H2.
What are the key properties of 6-(3,4-dihydro-1H-isoquinolin-2-yl)-N,N-bis(prop-2-enyl)pyridine-3-carboxamide?
6-(3,4-dihydro-1H-isoquinolin-2-yl)-N,N-bis(prop-2-enyl)pyridine-3-carboxamide has a molecular weight of 333.44 g/mol, XLogP of 3.46, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,4-dihydro-1H-isoquinolin-2-yl)-N,N-bis(prop-2-enyl)pyridine-3-carboxamide is sourced from PubChem (CID 84571048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).