2-(3-pyridin-3-ylpropanoyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide

C18H19N3O2 — CID 42895916

IUPAC2-(3-pyridin-3-ylpropanoyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide
SMILESNC(=O)C1Cc2ccccc2CN1C(=O)CCc1cccnc1
InChIInChI=1S/C18H19N3O2/c19-18(23)16-10-14-5-1-2-6-15(14)12-21(16)17(22)8-7-13-4-3-9-20-11-13/h1-6,9,11,16H,7-8,10,12H2,(H2,19,23)
InChIKeyZAPSODRDTUJEGN-UHFFFAOYSA-N
MW309.37 g/mol
LogP1.45
Rot. Bonds4

About 2-(3-pyridin-3-ylpropanoyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide

2-(3-pyridin-3-ylpropanoyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide (PubChem CID 42895916) has the molecular formula C18H19N3O2 and a molecular weight of 309.37 g/mol. Its IUPAC name is 2-(3-pyridin-3-ylpropanoyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide.

Molecular Properties

Compound Name2-(3-pyridin-3-ylpropanoyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide
PubChem CID42895916
Molecular FormulaC18H19N3O2
Molecular Weight309.37 g/mol
Exact Mass309.15
IUPAC Name2-(3-pyridin-3-ylpropanoyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide
SMILESNC(=O)C1Cc2ccccc2CN1C(=O)CCc1cccnc1
InChIInChI=1S/C18H19N3O2/c19-18(23)16-10-14-5-1-2-6-15(14)12-21(16)17(22)8-7-13-4-3-9-20-11-13/h1-6,9,11,16H,7-8,10,12H2,(H2,19,23)
InChIKeyZAPSODRDTUJEGN-UHFFFAOYSA-N
XLogP1.45
TPSA76.29 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 11605341
(2R)-2-{(3R,6R)-3-(2,3-Dihydro-1H-inden-2-yl)-6-[(1S)-1-methylpropyl]-2,5-dioxo-1-piperazinyl}-2-(4,6-dimethyl-3-pyridinyl)-N-methylethanamide
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Frequently Asked Questions

What is the IUPAC name of 2-(3-pyridin-3-ylpropanoyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide?
The IUPAC name of 2-(3-pyridin-3-ylpropanoyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide (CID 42895916) is 2-(3-pyridin-3-ylpropanoyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide.
What is the SMILES notation for 2-(3-pyridin-3-ylpropanoyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide?
The canonical SMILES for 2-(3-pyridin-3-ylpropanoyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide is NC(=O)C1Cc2ccccc2CN1C(=O)CCc1cccnc1.
What is the InChIKey of 2-(3-pyridin-3-ylpropanoyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide?
The InChIKey is ZAPSODRDTUJEGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O2/c19-18(23)16-10-14-5-1-2-6-15(14)12-21(16)17(22)8-7-13-4-3-9-20-11-13/h1-6,9,11,16H,7-8,10,12H2,(H2,19,23).
What are the key properties of 2-(3-pyridin-3-ylpropanoyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide?
2-(3-pyridin-3-ylpropanoyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide has a molecular weight of 309.37 g/mol, XLogP of 1.45, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-pyridin-3-ylpropanoyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide is sourced from PubChem (CID 42895916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).