N-[7-(5-fluoro-2-methylphenyl)isoquinolin-3-yl]-1-methylpiperidine-4-carboxamide

C23H24FN3O — CID 57410484

IUPACN-[7-(5-fluoro-2-methylphenyl)isoquinolin-3-yl]-1-methylpiperidine-4-carboxamide
SMILESCc1ccc(F)cc1-c1ccc2cc(NC(=O)C3CCN(C)CC3)ncc2c1
InChIInChI=1S/C23H24FN3O/c1-15-3-6-20(24)13-21(15)18-5-4-17-12-22(25-14-19(17)11-18)26-23(28)16-7-9-27(2)10-8-16/h3-6,11-14,16H,7-10H2,1-2H3,(H,25,26,28)
InChIKeyRTEKPYVJZGLQPF-UHFFFAOYSA-N
MW377.46 g/mol
LogP4.63
Rot. Bonds3

About N-[7-(5-fluoro-2-methylphenyl)isoquinolin-3-yl]-1-methylpiperidine-4-carboxamide

N-[7-(5-fluoro-2-methylphenyl)isoquinolin-3-yl]-1-methylpiperidine-4-carboxamide (PubChem CID 57410484) has the molecular formula C23H24FN3O and a molecular weight of 377.46 g/mol. Its IUPAC name is N-[7-(5-fluoro-2-methylphenyl)isoquinolin-3-yl]-1-methylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-[7-(5-fluoro-2-methylphenyl)isoquinolin-3-yl]-1-methylpiperidine-4-carboxamide
PubChem CID57410484
Molecular FormulaC23H24FN3O
Molecular Weight377.46 g/mol
Exact Mass377.19
IUPAC NameN-[7-(5-fluoro-2-methylphenyl)isoquinolin-3-yl]-1-methylpiperidine-4-carboxamide
SMILESCc1ccc(F)cc1-c1ccc2cc(NC(=O)C3CCN(C)CC3)ncc2c1
InChIInChI=1S/C23H24FN3O/c1-15-3-6-20(24)13-21(15)18-5-4-17-12-22(25-14-19(17)11-18)26-23(28)16-7-9-27(2)10-8-16/h3-6,11-14,16H,7-10H2,1-2H3,(H,25,26,28)
InChIKeyRTEKPYVJZGLQPF-UHFFFAOYSA-N
XLogP4.63
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.46
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Difenpiramide
CID 100472
N-(5-methylpyridin-2-yl)-2,2-diphenylacetamide
CID 939927
2-(4-isobutylphenyl)-N-(3-methylpyridin-2-yl)propanamide
CID 6612586
1-Phenyl-3-(3-(pyridin-2-yl)isoquinolin-1-yl)urea
CID 10640891
hGPR91 antagonist 1
CID 53358775
1-Ethyl-3-[8-methyl-5-(2-methylpyridin-4-yl)isoquinolin-3-yl]urea
CID 67448852
N-(7-(5-fluoro-4-methylpyridin-3-yl)isoquinolin-3-yl)cyclopropanecarboxamide
CID 67974814
2-(4-(2-methylpyridin-4-yl)phenyl)-N-(5-phenylpyridin-2-yl)acetamide
CID 46927726
N-(8-amino-6-(4-methylpyridin-3-yl)isoquinolin-3-yl)cyclopropanecarboxamide
CID 135342628
N-(8-amino-7-cyano-6-(4-methylpyridin-3-yl)isoquinolin-3-yl)cyclopropanecarboxamide
CID 135343141
1-methyl-N-[6-[6-(propan-2-ylamino)pyrazin-2-yl]isoquinolin-3-yl]piperidine-4-carboxamide
CID 138586301
N-(3-methyl-2-pyridinyl)-2,2-diphenylacetamide
CID 4450213

Frequently Asked Questions

What is the IUPAC name of N-[7-(5-fluoro-2-methylphenyl)isoquinolin-3-yl]-1-methylpiperidine-4-carboxamide?
The IUPAC name of N-[7-(5-fluoro-2-methylphenyl)isoquinolin-3-yl]-1-methylpiperidine-4-carboxamide (CID 57410484) is N-[7-(5-fluoro-2-methylphenyl)isoquinolin-3-yl]-1-methylpiperidine-4-carboxamide.
What is the SMILES notation for N-[7-(5-fluoro-2-methylphenyl)isoquinolin-3-yl]-1-methylpiperidine-4-carboxamide?
The canonical SMILES for N-[7-(5-fluoro-2-methylphenyl)isoquinolin-3-yl]-1-methylpiperidine-4-carboxamide is Cc1ccc(F)cc1-c1ccc2cc(NC(=O)C3CCN(C)CC3)ncc2c1.
What is the InChIKey of N-[7-(5-fluoro-2-methylphenyl)isoquinolin-3-yl]-1-methylpiperidine-4-carboxamide?
The InChIKey is RTEKPYVJZGLQPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24FN3O/c1-15-3-6-20(24)13-21(15)18-5-4-17-12-22(25-14-19(17)11-18)26-23(28)16-7-9-27(2)10-8-16/h3-6,11-14,16H,7-10H2,1-2H3,(H,25,26,28).
What are the key properties of N-[7-(5-fluoro-2-methylphenyl)isoquinolin-3-yl]-1-methylpiperidine-4-carboxamide?
N-[7-(5-fluoro-2-methylphenyl)isoquinolin-3-yl]-1-methylpiperidine-4-carboxamide has a molecular weight of 377.46 g/mol, XLogP of 4.63, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[7-(5-fluoro-2-methylphenyl)isoquinolin-3-yl]-1-methylpiperidine-4-carboxamide is sourced from PubChem (CID 57410484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).