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

C17H18FN3O — CID 133422541

IUPACN-ethyl-6-(6-fluoro-3,4-dihydro-1H-isoquinolin-2-yl)pyridine-3-carboxamide
SMILESCCNC(=O)c1ccc(N2CCc3cc(F)ccc3C2)nc1
InChIInChI=1S/C17H18FN3O/c1-2-19-17(22)13-4-6-16(20-10-13)21-8-7-12-9-15(18)5-3-14(12)11-21/h3-6,9-10H,2,7-8,11H2,1H3,(H,19,22)
InChIKeyUJOPVMINZODDMK-UHFFFAOYSA-N
MW299.35 g/mol
LogP2.53
Rot. Bonds3

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

N-ethyl-6-(6-fluoro-3,4-dihydro-1H-isoquinolin-2-yl)pyridine-3-carboxamide (PubChem CID 133422541) has the molecular formula C17H18FN3O and a molecular weight of 299.35 g/mol. Its IUPAC name is N-ethyl-6-(6-fluoro-3,4-dihydro-1H-isoquinolin-2-yl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-ethyl-6-(6-fluoro-3,4-dihydro-1H-isoquinolin-2-yl)pyridine-3-carboxamide
PubChem CID133422541
Molecular FormulaC17H18FN3O
Molecular Weight299.35 g/mol
Exact Mass299.14
IUPAC NameN-ethyl-6-(6-fluoro-3,4-dihydro-1H-isoquinolin-2-yl)pyridine-3-carboxamide
SMILESCCNC(=O)c1ccc(N2CCc3cc(F)ccc3C2)nc1
InChIInChI=1S/C17H18FN3O/c1-2-19-17(22)13-4-6-16(20-10-13)21-8-7-12-9-15(18)5-3-14(12)11-21/h3-6,9-10H,2,7-8,11H2,1H3,(H,19,22)
InChIKeyUJOPVMINZODDMK-UHFFFAOYSA-N
XLogP2.53
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.35
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(2,2-dimethoxyethyl)pyridine-3-carboxamide
CID 84570649
6-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[(4-methylphenyl)methyl]pyridine-3-carboxamide
CID 84571049
N-ethyl-6-[4-[(4-fluorophenyl)methoxy]piperidin-1-yl]pyridine-3-carboxamide
CID 133422228
5-[5-(ethylcarbamoyl)-2-pyridinyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2-carboxylic acid
CID 50957600
N-[[6-(3,4-dihydro-1H-isoquinolin-2-yl)-3-pyridinyl]methyl]-4-methylsulfanylbenzamide
CID 78890746
N-(4-acetamidophenyl)-6-(3,4-dihydro-1H-isoquinolin-2-yl)pyridine-3-carboxamide
CID 109158394
6-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N-(furan-2-ylmethyl)pyridine-3-carboxamide
CID 109155413
6-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(4-ethoxyphenyl)pyridine-3-carboxamide
CID 109158381
6-[3-(3-fluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-N-propylpyridine-3-carboxamide
CID 56749115
N-(6-methyl-2-pyridinyl)-6-(6-propoxy-3,4-dihydro-1H-isoquinolin-2-yl)pyridine-3-carboxamide
CID 127038978
6-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)pyridine-3-carboxylic acid
CID 4967934
N-ethyl-6-[(7-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl)amino]pyridine-3-carboxamide
CID 133446444

Frequently Asked Questions

What is the IUPAC name of N-ethyl-6-(6-fluoro-3,4-dihydro-1H-isoquinolin-2-yl)pyridine-3-carboxamide?
The IUPAC name of N-ethyl-6-(6-fluoro-3,4-dihydro-1H-isoquinolin-2-yl)pyridine-3-carboxamide (CID 133422541) is N-ethyl-6-(6-fluoro-3,4-dihydro-1H-isoquinolin-2-yl)pyridine-3-carboxamide.
What is the SMILES notation for N-ethyl-6-(6-fluoro-3,4-dihydro-1H-isoquinolin-2-yl)pyridine-3-carboxamide?
The canonical SMILES for N-ethyl-6-(6-fluoro-3,4-dihydro-1H-isoquinolin-2-yl)pyridine-3-carboxamide is CCNC(=O)c1ccc(N2CCc3cc(F)ccc3C2)nc1.
What is the InChIKey of N-ethyl-6-(6-fluoro-3,4-dihydro-1H-isoquinolin-2-yl)pyridine-3-carboxamide?
The InChIKey is UJOPVMINZODDMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FN3O/c1-2-19-17(22)13-4-6-16(20-10-13)21-8-7-12-9-15(18)5-3-14(12)11-21/h3-6,9-10H,2,7-8,11H2,1H3,(H,19,22).
What are the key properties of N-ethyl-6-(6-fluoro-3,4-dihydro-1H-isoquinolin-2-yl)pyridine-3-carboxamide?
N-ethyl-6-(6-fluoro-3,4-dihydro-1H-isoquinolin-2-yl)pyridine-3-carboxamide has a molecular weight of 299.35 g/mol, XLogP of 2.53, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-6-(6-fluoro-3,4-dihydro-1H-isoquinolin-2-yl)pyridine-3-carboxamide is sourced from PubChem (CID 133422541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).