2-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-N-prop-2-enylpyridine-4-carboxamide

C19H19N3O2 — CID 109078832

IUPAC2-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-N-prop-2-enylpyridine-4-carboxamide
SMILESC=CCNC(=O)c1ccnc(C(=O)N2CCc3ccccc3C2)c1
InChIInChI=1S/C19H19N3O2/c1-2-9-21-18(23)15-7-10-20-17(12-15)19(24)22-11-8-14-5-3-4-6-16(14)13-22/h2-7,10,12H,1,8-9,11,13H2,(H,21,23)
InChIKeyJWZAZUBLAZQLEJ-UHFFFAOYSA-N
MW321.38 g/mol
LogP2.20
Rot. Bonds4

About 2-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-N-prop-2-enylpyridine-4-carboxamide

2-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-N-prop-2-enylpyridine-4-carboxamide (PubChem CID 109078832) has the molecular formula C19H19N3O2 and a molecular weight of 321.38 g/mol. Its IUPAC name is 2-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-N-prop-2-enylpyridine-4-carboxamide.

Molecular Properties

Compound Name2-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-N-prop-2-enylpyridine-4-carboxamide
PubChem CID109078832
Molecular FormulaC19H19N3O2
Molecular Weight321.38 g/mol
Exact Mass321.15
IUPAC Name2-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-N-prop-2-enylpyridine-4-carboxamide
SMILESC=CCNC(=O)c1ccnc(C(=O)N2CCc3ccccc3C2)c1
InChIInChI=1S/C19H19N3O2/c1-2-9-21-18(23)15-7-10-20-17(12-15)19(24)22-11-8-14-5-3-4-6-16(14)13-22/h2-7,10,12H,1,8-9,11,13H2,(H,21,23)
InChIKeyJWZAZUBLAZQLEJ-UHFFFAOYSA-N
XLogP2.20
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-N-prop-2-enylpyridine-3-carboxamide
CID 109101756
2-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-N-(furan-2-ylmethyl)pyridine-4-carboxamide
CID 109085025
2-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-N-[(3-methylphenyl)methyl]pyridine-4-carboxamide
CID 109085689
2-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-N,N-diethylpyridine-4-carboxamide
CID 109087887
N-cyclohexyl-2-(3,4-dihydro-1H-isoquinoline-2-carbonyl)pyridine-4-carboxamide
CID 109081387
2-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-N-(4-methoxyphenyl)pyridine-4-carboxamide
CID 109087925
[2-(2,3-dihydroindole-1-carbonyl)-4-pyridinyl]-(3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 109087851
(4-anilino-2-pyridinyl)-(3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 109213775
4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-N-(2,6-dimethylphenyl)pyridine-2-carboxamide
CID 109087857
3,4-dihydro-1H-isoquinolin-2-yl-[4-(2-methoxyethylamino)-2-pyridinyl]methanone
CID 109205870
2-N-(2-phenylethyl)-4-N-prop-2-enylpyridine-2,4-dicarboxamide
CID 109078831
4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-N-prop-2-enylbenzamide
CID 2864227

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-N-prop-2-enylpyridine-4-carboxamide?
The IUPAC name of 2-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-N-prop-2-enylpyridine-4-carboxamide (CID 109078832) is 2-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-N-prop-2-enylpyridine-4-carboxamide.
What is the SMILES notation for 2-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-N-prop-2-enylpyridine-4-carboxamide?
The canonical SMILES for 2-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-N-prop-2-enylpyridine-4-carboxamide is C=CCNC(=O)c1ccnc(C(=O)N2CCc3ccccc3C2)c1.
What is the InChIKey of 2-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-N-prop-2-enylpyridine-4-carboxamide?
The InChIKey is JWZAZUBLAZQLEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O2/c1-2-9-21-18(23)15-7-10-20-17(12-15)19(24)22-11-8-14-5-3-4-6-16(14)13-22/h2-7,10,12H,1,8-9,11,13H2,(H,21,23).
What are the key properties of 2-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-N-prop-2-enylpyridine-4-carboxamide?
2-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-N-prop-2-enylpyridine-4-carboxamide has a molecular weight of 321.38 g/mol, XLogP of 2.20, 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-prop-2-enylpyridine-4-carboxamide is sourced from PubChem (CID 109078832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).