2-(5-amino-3,4-dihydro-1H-isoquinolin-2-yl)pyridine-3-carboxamide

C15H16N4O — CID 61015190

IUPAC2-(5-amino-3,4-dihydro-1H-isoquinolin-2-yl)pyridine-3-carboxamide
SMILESNC(=O)c1cccnc1N1CCc2c(N)cccc2C1
InChIInChI=1S/C15H16N4O/c16-13-5-1-3-10-9-19(8-6-11(10)13)15-12(14(17)20)4-2-7-18-15/h1-5,7H,6,8-9,16H2,(H2,17,20)
InChIKeyMFNIWZFWAUTOGK-UHFFFAOYSA-N
MW268.32 g/mol
LogP1.33
Rot. Bonds2

About 2-(5-amino-3,4-dihydro-1H-isoquinolin-2-yl)pyridine-3-carboxamide

2-(5-amino-3,4-dihydro-1H-isoquinolin-2-yl)pyridine-3-carboxamide (PubChem CID 61015190) has the molecular formula C15H16N4O and a molecular weight of 268.32 g/mol. Its IUPAC name is 2-(5-amino-3,4-dihydro-1H-isoquinolin-2-yl)pyridine-3-carboxamide.

Molecular Properties

Compound Name2-(5-amino-3,4-dihydro-1H-isoquinolin-2-yl)pyridine-3-carboxamide
PubChem CID61015190
Molecular FormulaC15H16N4O
Molecular Weight268.32 g/mol
Exact Mass268.13
IUPAC Name2-(5-amino-3,4-dihydro-1H-isoquinolin-2-yl)pyridine-3-carboxamide
SMILESNC(=O)c1cccnc1N1CCc2c(N)cccc2C1
InChIInChI=1S/C15H16N4O/c16-13-5-1-3-10-9-19(8-6-11(10)13)15-12(14(17)20)4-2-7-18-15/h1-5,7H,6,8-9,16H2,(H2,17,20)
InChIKeyMFNIWZFWAUTOGK-UHFFFAOYSA-N
XLogP1.33
TPSA85.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-(5-amino-3,4-dihydro-1H-isoquinolin-2-yl)-2-bromobenzamide
CID 107280604
2-(5-amino-3,4-dihydro-1H-isoquinolin-2-yl)-5-bromobenzamide
CID 114893895
2-(5-chloro-3,4-dihydro-1H-isoquinolin-2-yl)-N-methylpyridine-3-carboxamide
CID 75374187
2-pyridazin-3-yl-3,4-dihydro-1H-isoquinolin-5-amine
CID 62481027
2-(6-azaspiro[2.5]octan-6-yl)pyridine-3-carboxamide
CID 163287557
2-(3,4-dihydro-1H-isoquinolin-2-yl)pyridin-3-amine
CID 16783390
2-(3-morpholin-4-ylquinoxalin-2-yl)-3,4-dihydro-1H-isoquinoline-5-carboxamide
CID 138033848
N-methyl-2-[5-(2-oxo-1,3-oxazolidin-3-yl)-3,4-dihydro-1H-isoquinolin-2-yl]pyridine-3-carboxamide
CID 133325201
3-amino-2-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)benzamide
CID 115935111
2-(1,4-diazepan-1-yl)pyridine-3-carboxamide
CID 16793315
2-[4-(7H-purin-6-yl)piperazin-1-yl]pyridine-3-carboxamide
CID 134697631
ethyl 2-(8-bromo-3,4-dihydro-1H-isoquinolin-2-yl)pyridine-3-carboxylate
CID 133471518

Frequently Asked Questions

What is the IUPAC name of 2-(5-amino-3,4-dihydro-1H-isoquinolin-2-yl)pyridine-3-carboxamide?
The IUPAC name of 2-(5-amino-3,4-dihydro-1H-isoquinolin-2-yl)pyridine-3-carboxamide (CID 61015190) is 2-(5-amino-3,4-dihydro-1H-isoquinolin-2-yl)pyridine-3-carboxamide.
What is the SMILES notation for 2-(5-amino-3,4-dihydro-1H-isoquinolin-2-yl)pyridine-3-carboxamide?
The canonical SMILES for 2-(5-amino-3,4-dihydro-1H-isoquinolin-2-yl)pyridine-3-carboxamide is NC(=O)c1cccnc1N1CCc2c(N)cccc2C1.
What is the InChIKey of 2-(5-amino-3,4-dihydro-1H-isoquinolin-2-yl)pyridine-3-carboxamide?
The InChIKey is MFNIWZFWAUTOGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O/c16-13-5-1-3-10-9-19(8-6-11(10)13)15-12(14(17)20)4-2-7-18-15/h1-5,7H,6,8-9,16H2,(H2,17,20).
What are the key properties of 2-(5-amino-3,4-dihydro-1H-isoquinolin-2-yl)pyridine-3-carboxamide?
2-(5-amino-3,4-dihydro-1H-isoquinolin-2-yl)pyridine-3-carboxamide has a molecular weight of 268.32 g/mol, XLogP of 1.33, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-amino-3,4-dihydro-1H-isoquinolin-2-yl)pyridine-3-carboxamide is sourced from PubChem (CID 61015190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).