6-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-N-[(4-fluorophenyl)methyl]pyridine-2-carboxamide

C23H20FN3O2 — CID 109097816

IUPAC6-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-N-[(4-fluorophenyl)methyl]pyridine-2-carboxamide
SMILESO=C(NCc1ccc(F)cc1)c1cccc(C(=O)N2CCc3ccccc3C2)n1
InChIInChI=1S/C23H20FN3O2/c24-19-10-8-16(9-11-19)14-25-22(28)20-6-3-7-21(26-20)23(29)27-13-12-17-4-1-2-5-18(17)15-27/h1-11H,12-15H2,(H,25,28)
InChIKeySREXEGNKXBPVEF-UHFFFAOYSA-N
MW389.43 g/mol
LogP3.35
Rot. Bonds4

About 6-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-N-[(4-fluorophenyl)methyl]pyridine-2-carboxamide

6-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-N-[(4-fluorophenyl)methyl]pyridine-2-carboxamide (PubChem CID 109097816) has the molecular formula C23H20FN3O2 and a molecular weight of 389.43 g/mol. Its IUPAC name is 6-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-N-[(4-fluorophenyl)methyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name6-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-N-[(4-fluorophenyl)methyl]pyridine-2-carboxamide
PubChem CID109097816
Molecular FormulaC23H20FN3O2
Molecular Weight389.43 g/mol
Exact Mass389.15
IUPAC Name6-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-N-[(4-fluorophenyl)methyl]pyridine-2-carboxamide
SMILESO=C(NCc1ccc(F)cc1)c1cccc(C(=O)N2CCc3ccccc3C2)n1
InChIInChI=1S/C23H20FN3O2/c24-19-10-8-16(9-11-19)14-25-22(28)20-6-3-7-21(26-20)23(29)27-13-12-17-4-1-2-5-18(17)15-27/h1-11H,12-15H2,(H,25,28)
InChIKeySREXEGNKXBPVEF-UHFFFAOYSA-N
XLogP3.35
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.43
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3,4-dihydro-1H-isoquinolin-2-yl-[2-[(4-fluorophenyl)methylamino]pyrimidin-4-yl]methanone
CID 109305505
6-(4-ethylpiperazine-1-carbonyl)-N-[(4-fluorophenyl)methyl]pyridine-2-carboxamide
CID 109096789
6-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[(4-fluorophenyl)methyl]pyridazine-3-carboxamide
CID 109119535
N-[2-(4-fluorophenyl)ethyl]-6-(pyrrolidine-1-carbonyl)pyridine-2-carboxamide
CID 109094790
N-[(4-fluorophenyl)methyl]-6-(2-methyl-2,3-dihydroindole-1-carbonyl)pyridine-2-carboxamide
CID 109097874
N-(2-chlorophenyl)-6-(3,4-dihydro-1H-isoquinoline-2-carbonyl)pyridine-2-carboxamide
CID 109098517
[6-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-2-pyridinyl]-(4-methylpiperazin-1-yl)methanone
CID 109096664
1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[(4-fluorophenyl)methylamino]propan-1-one
CID 109021171
3,4-dihydro-1H-isoquinolin-2-yl-(6-hydrazinyl-2-pyridinyl)methanone
CID 62248838
6-N-cyclohexyl-2-N-[(4-fluorophenyl)methyl]pyridine-2,6-dicarboxamide
CID 109095286
3,4-dihydro-1H-isoquinolin-2-yl-[6-(ethylamino)-2-pyridinyl]methanone
CID 62238754
6-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-N-(4-propan-2-ylphenyl)pyridine-2-carboxamide
CID 109098513

Frequently Asked Questions

What is the IUPAC name of 6-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-N-[(4-fluorophenyl)methyl]pyridine-2-carboxamide?
The IUPAC name of 6-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-N-[(4-fluorophenyl)methyl]pyridine-2-carboxamide (CID 109097816) is 6-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-N-[(4-fluorophenyl)methyl]pyridine-2-carboxamide.
What is the SMILES notation for 6-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-N-[(4-fluorophenyl)methyl]pyridine-2-carboxamide?
The canonical SMILES for 6-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-N-[(4-fluorophenyl)methyl]pyridine-2-carboxamide is O=C(NCc1ccc(F)cc1)c1cccc(C(=O)N2CCc3ccccc3C2)n1.
What is the InChIKey of 6-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-N-[(4-fluorophenyl)methyl]pyridine-2-carboxamide?
The InChIKey is SREXEGNKXBPVEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20FN3O2/c24-19-10-8-16(9-11-19)14-25-22(28)20-6-3-7-21(26-20)23(29)27-13-12-17-4-1-2-5-18(17)15-27/h1-11H,12-15H2,(H,25,28).
What are the key properties of 6-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-N-[(4-fluorophenyl)methyl]pyridine-2-carboxamide?
6-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-N-[(4-fluorophenyl)methyl]pyridine-2-carboxamide has a molecular weight of 389.43 g/mol, XLogP of 3.35, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-N-[(4-fluorophenyl)methyl]pyridine-2-carboxamide is sourced from PubChem (CID 109097816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).