N-(3-pyridin-2-ylisoquinolin-1-yl)benzamide

C21H15N3O — CID 10448986

IUPACN-(3-pyridin-2-ylisoquinolin-1-yl)benzamide
SMILESO=C(Nc1nc(-c2ccccn2)cc2ccccc12)c1ccccc1
InChIInChI=1S/C21H15N3O/c25-21(15-8-2-1-3-9-15)24-20-17-11-5-4-10-16(17)14-19(23-20)18-12-6-7-13-22-18/h1-14H,(H,23,24,25)
InChIKeyFWRPUFITEHOETQ-UHFFFAOYSA-N
MW325.37 g/mol
LogP4.55
Rot. Bonds3

About N-(3-pyridin-2-ylisoquinolin-1-yl)benzamide

N-(3-pyridin-2-ylisoquinolin-1-yl)benzamide (PubChem CID 10448986) has the molecular formula C21H15N3O and a molecular weight of 325.37 g/mol. Its IUPAC name is N-(3-pyridin-2-ylisoquinolin-1-yl)benzamide.

Molecular Properties

Compound NameN-(3-pyridin-2-ylisoquinolin-1-yl)benzamide
PubChem CID10448986
Molecular FormulaC21H15N3O
Molecular Weight325.37 g/mol
Exact Mass325.12
IUPAC NameN-(3-pyridin-2-ylisoquinolin-1-yl)benzamide
SMILESO=C(Nc1nc(-c2ccccn2)cc2ccccc12)c1ccccc1
InChIInChI=1S/C21H15N3O/c25-21(15-8-2-1-3-9-15)24-20-17-11-5-4-10-16(17)14-19(23-20)18-12-6-7-13-22-18/h1-14H,(H,23,24,25)
InChIKeyFWRPUFITEHOETQ-UHFFFAOYSA-N
XLogP4.55
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.37
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

BPKDi
CID 46901383
N-{4-[(6-Oxo-5,6-Dihydrobenzo[c][1,8]naphthyridin-1-Yl)amino]phenyl}benzamide
CID 44189332
2-methyl-N-pyridin-2-ylbenzamide
CID 799062
Indole naphthyridinone 21
CID 6539896
2-(4-methylpiperazin-1-yl)-5H-benzo(c)(1,5)naphthyridin-6-one
CID 9796149
1-Phenyl-3-(3-(pyridin-2-yl)isoquinolin-1-yl)urea
CID 10640891
4-Pyrimidinecarboxamide,2-amino-6-(2-methylphenyl)-n-[(3-methyl-2-pyridinyl)methyl]-
CID 11302050
5H-Benzo(c)(1,8)naphthyridin-6-one
CID 12342815
4-Pyrimidinecarboxamide,2-amino-6-(2-methylphenyl)-n-(2-pyridinylmethyl)-
CID 44520947
2-methyl-N-(2-pyridin-4-ylpyrimidin-4-yl)benzamide
CID 4436165
N-[4-[(6-oxo-5H-benzo[c][1,8]naphthyridin-1-yl)amino]phenyl]-2-(trifluoromethyl)benzamide
CID 44207068
4-fluoro-N-[4-[(6-oxo-5H-benzo[c][1,8]naphthyridin-1-yl)amino]phenyl]benzamide
CID 44207069

Frequently Asked Questions

What is the IUPAC name of N-(3-pyridin-2-ylisoquinolin-1-yl)benzamide?
The IUPAC name of N-(3-pyridin-2-ylisoquinolin-1-yl)benzamide (CID 10448986) is N-(3-pyridin-2-ylisoquinolin-1-yl)benzamide.
What is the SMILES notation for N-(3-pyridin-2-ylisoquinolin-1-yl)benzamide?
The canonical SMILES for N-(3-pyridin-2-ylisoquinolin-1-yl)benzamide is O=C(Nc1nc(-c2ccccn2)cc2ccccc12)c1ccccc1.
What is the InChIKey of N-(3-pyridin-2-ylisoquinolin-1-yl)benzamide?
The InChIKey is FWRPUFITEHOETQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15N3O/c25-21(15-8-2-1-3-9-15)24-20-17-11-5-4-10-16(17)14-19(23-20)18-12-6-7-13-22-18/h1-14H,(H,23,24,25).
What are the key properties of N-(3-pyridin-2-ylisoquinolin-1-yl)benzamide?
N-(3-pyridin-2-ylisoquinolin-1-yl)benzamide has a molecular weight of 325.37 g/mol, XLogP of 4.55, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-pyridin-2-ylisoquinolin-1-yl)benzamide is sourced from PubChem (CID 10448986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).