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

C19H22N4O2 — CID 84570614

IUPAC6-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(3-formamidopropyl)pyridine-2-carboxamide
SMILESO=CNCCCNC(=O)c1cccc(N2CCc3ccccc3C2)n1
InChIInChI=1S/C19H22N4O2/c24-14-20-10-4-11-21-19(25)17-7-3-8-18(22-17)23-12-9-15-5-1-2-6-16(15)13-23/h1-3,5-8,14H,4,9-13H2,(H,20,24)(H,21,25)
InChIKeyDDTAOWGAWZDTNZ-UHFFFAOYSA-N
MW338.41 g/mol
LogP1.51
Rot. Bonds7

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

6-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(3-formamidopropyl)pyridine-2-carboxamide (PubChem CID 84570614) has the molecular formula C19H22N4O2 and a molecular weight of 338.41 g/mol. Its IUPAC name is 6-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(3-formamidopropyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name6-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(3-formamidopropyl)pyridine-2-carboxamide
PubChem CID84570614
Molecular FormulaC19H22N4O2
Molecular Weight338.41 g/mol
Exact Mass338.17
IUPAC Name6-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(3-formamidopropyl)pyridine-2-carboxamide
SMILESO=CNCCCNC(=O)c1cccc(N2CCc3ccccc3C2)n1
InChIInChI=1S/C19H22N4O2/c24-14-20-10-4-11-21-19(25)17-7-3-8-18(22-17)23-12-9-15-5-1-2-6-16(15)13-23/h1-3,5-8,14H,4,9-13H2,(H,20,24)(H,21,25)
InChIKeyDDTAOWGAWZDTNZ-UHFFFAOYSA-N
XLogP1.51
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

6-(3,4-dihydro-1H-isoquinolin-2-yl)-N-ethyl-N-(2-hydroxyethyl)pyridine-2-carboxamide
CID 84570606
6-chloro-N-(3-formamidopropyl)pyridine-2-carboxamide
CID 84580412
N-butyl-6-(3,4-dihydro-1H-isoquinolin-2-yl)pyrimidine-4-carboxamide
CID 109340038
N-[(3R)-1-cyanopyrrolidin-3-yl]-6-(3,4-dihydro-1H-isoquinolin-2-yl)pyridine-2-carboxamide
CID 165414446
4-(3,4-dihydro-1H-isoquinolin-2-yl)-N-pentylpyridine-2-carboxamide
CID 109213863
N-(2-hydroxyethyl)-6-(4-methylpiperazin-1-yl)pyridine-2-carboxamide
CID 84575178
[6-(3,4-dihydro-1H-isoquinolin-2-yl)-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone
CID 84570572
6-(azepan-1-yl)-N-[3-(dimethylamino)propyl]pyridine-2-carboxamide
CID 84573830
N-[3-(dimethylamino)propyl]-6-piperidin-1-ylpyridine-2-carboxamide
CID 84573694
N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]quinoline-2-carboxamide
CID 37094959
6-morpholin-4-yl-N-(3-morpholin-4-ylpropyl)pyridine-2-carboxamide
CID 84573956
5-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(3-phenylpropyl)pyridine-2-carboxamide
CID 109192073

Frequently Asked Questions

What is the IUPAC name of 6-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(3-formamidopropyl)pyridine-2-carboxamide?
The IUPAC name of 6-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(3-formamidopropyl)pyridine-2-carboxamide (CID 84570614) is 6-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(3-formamidopropyl)pyridine-2-carboxamide.
What is the SMILES notation for 6-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(3-formamidopropyl)pyridine-2-carboxamide?
The canonical SMILES for 6-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(3-formamidopropyl)pyridine-2-carboxamide is O=CNCCCNC(=O)c1cccc(N2CCc3ccccc3C2)n1.
What is the InChIKey of 6-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(3-formamidopropyl)pyridine-2-carboxamide?
The InChIKey is DDTAOWGAWZDTNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O2/c24-14-20-10-4-11-21-19(25)17-7-3-8-18(22-17)23-12-9-15-5-1-2-6-16(15)13-23/h1-3,5-8,14H,4,9-13H2,(H,20,24)(H,21,25).
What are the key properties of 6-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(3-formamidopropyl)pyridine-2-carboxamide?
6-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(3-formamidopropyl)pyridine-2-carboxamide has a molecular weight of 338.41 g/mol, XLogP of 1.51, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(3-formamidopropyl)pyridine-2-carboxamide is sourced from PubChem (CID 84570614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).