2-methoxy-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)pyridine-3-carboxamide

C16H17N3O2 — CID 63900928

IUPAC2-methoxy-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)pyridine-3-carboxamide
SMILESCOc1ncccc1C(=O)Nc1ccc2c(c1)CNCC2
InChIInChI=1S/C16H17N3O2/c1-21-16-14(3-2-7-18-16)15(20)19-13-5-4-11-6-8-17-10-12(11)9-13/h2-5,7,9,17H,6,8,10H2,1H3,(H,19,20)
InChIKeyDUWONDPIKKXBHY-UHFFFAOYSA-N
MW283.33 g/mol
LogP1.99
Rot. Bonds3

About 2-methoxy-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)pyridine-3-carboxamide

2-methoxy-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)pyridine-3-carboxamide (PubChem CID 63900928) has the molecular formula C16H17N3O2 and a molecular weight of 283.33 g/mol. Its IUPAC name is 2-methoxy-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)pyridine-3-carboxamide.

Molecular Properties

Compound Name2-methoxy-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)pyridine-3-carboxamide
PubChem CID63900928
Molecular FormulaC16H17N3O2
Molecular Weight283.33 g/mol
Exact Mass283.13
IUPAC Name2-methoxy-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)pyridine-3-carboxamide
SMILESCOc1ncccc1C(=O)Nc1ccc2c(c1)CNCC2
InChIInChI=1S/C16H17N3O2/c1-21-16-14(3-2-7-18-16)15(20)19-13-5-4-11-6-8-17-10-12(11)9-13/h2-5,7,9,17H,6,8,10H2,1H3,(H,19,20)
InChIKeyDUWONDPIKKXBHY-UHFFFAOYSA-N
XLogP1.99
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)pyridine-3-carboxamide;hydrochloride
CID 75495881
2-hydroxy-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)benzamide
CID 63901524
N-(3,4-dimethoxyphenyl)-2-methoxypyridine-3-carboxamide
CID 84580737
2,3-dimethyl-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)benzamide;hydrochloride
CID 119581059
2-bromo-3-methyl-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)benzamide
CID 107983127
2-methoxy-N-(2-methylbenzotriazol-5-yl)pyridine-3-carboxamide
CID 155909000
3-chloro-2-methyl-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)benzamide
CID 107098171
2,3-dichloro-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)benzamide
CID 63901931
N-(3-cyanophenyl)-2-methoxypyridine-3-carboxamide
CID 55023858
N-(2,3-dihydro-1H-inden-5-yl)-2-phenoxypyridine-3-carboxamide
CID 24514604
N-[4-(2-hydroxyethyl)phenyl]-2-methoxypyridine-3-carboxamide
CID 61223971
2,5-dimethyl-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)benzamide
CID 63901319

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)pyridine-3-carboxamide?
The IUPAC name of 2-methoxy-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)pyridine-3-carboxamide (CID 63900928) is 2-methoxy-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)pyridine-3-carboxamide.
What is the SMILES notation for 2-methoxy-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)pyridine-3-carboxamide?
The canonical SMILES for 2-methoxy-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)pyridine-3-carboxamide is COc1ncccc1C(=O)Nc1ccc2c(c1)CNCC2.
What is the InChIKey of 2-methoxy-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)pyridine-3-carboxamide?
The InChIKey is DUWONDPIKKXBHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O2/c1-21-16-14(3-2-7-18-16)15(20)19-13-5-4-11-6-8-17-10-12(11)9-13/h2-5,7,9,17H,6,8,10H2,1H3,(H,19,20).
What are the key properties of 2-methoxy-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)pyridine-3-carboxamide?
2-methoxy-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)pyridine-3-carboxamide has a molecular weight of 283.33 g/mol, XLogP of 1.99, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)pyridine-3-carboxamide is sourced from PubChem (CID 63900928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).