3-naphthalen-2-yl-N-pyridin-4-ylbenzamide

C22H16N2O — CID 118722840

IUPAC3-naphthalen-2-yl-N-pyridin-4-ylbenzamide
SMILESO=C(Nc1ccncc1)c1cccc(-c2ccc3ccccc3c2)c1
InChIInChI=1S/C22H16N2O/c25-22(24-21-10-12-23-13-11-21)20-7-3-6-18(15-20)19-9-8-16-4-1-2-5-17(16)14-19/h1-15H,(H,23,24,25)
InChIKeyNJNLBELULSCGTI-UHFFFAOYSA-N
MW324.38 g/mol
LogP5.15
Rot. Bonds3

About 3-naphthalen-2-yl-N-pyridin-4-ylbenzamide

3-naphthalen-2-yl-N-pyridin-4-ylbenzamide (PubChem CID 118722840) has the molecular formula C22H16N2O and a molecular weight of 324.38 g/mol. Its IUPAC name is 3-naphthalen-2-yl-N-pyridin-4-ylbenzamide.

Molecular Properties

Compound Name3-naphthalen-2-yl-N-pyridin-4-ylbenzamide
PubChem CID118722840
Molecular FormulaC22H16N2O
Molecular Weight324.38 g/mol
Exact Mass324.13
IUPAC Name3-naphthalen-2-yl-N-pyridin-4-ylbenzamide
SMILESO=C(Nc1ccncc1)c1cccc(-c2ccc3ccccc3c2)c1
InChIInChI=1S/C22H16N2O/c25-22(24-21-10-12-23-13-11-21)20-7-3-6-18(15-20)19-9-8-16-4-1-2-5-17(16)14-19/h1-15H,(H,23,24,25)
InChIKeyNJNLBELULSCGTI-UHFFFAOYSA-N
XLogP5.15
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500324.38
LogP ≤ 55.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-isoquinolin-7-yl-N-[3-(trifluoromethyl)phenyl]benzamide
CID 11574683
4-phenyl-N-pyridin-4-ylbenzamide;hydrochloride
CID 163329221
3-(1-methylpyrazol-4-yl)-N-pyridin-4-ylbenzamide
CID 110486276
N-[4-(naphthalene-2-carbonylamino)phenyl]naphthalene-2-carboxamide
CID 5120135
N-naphthalen-2-yl-4-phenylbenzamide
CID 1228216
3-chloro-N-pyridin-4-ylbenzamide
CID 849128
3-bromo-N-pyridin-4-ylbenzamide
CID 4130300
4-[4-(naphthalen-2-ylcarbamoyl)phenyl]-N-phenylbenzamide
CID 170421564
3-phenyl-N-pyridin-3-ylbenzamide
CID 110723041
N-pyridin-4-ylquinoline-6-carboxamide
CID 53313330
N-(3-pyridin-4-ylphenyl)pyridine-4-carboxamide
CID 166320523
N-naphthalen-2-yl-4-pyridin-2-ylbenzamide
CID 59673032

Frequently Asked Questions

What is the IUPAC name of 3-naphthalen-2-yl-N-pyridin-4-ylbenzamide?
The IUPAC name of 3-naphthalen-2-yl-N-pyridin-4-ylbenzamide (CID 118722840) is 3-naphthalen-2-yl-N-pyridin-4-ylbenzamide.
What is the SMILES notation for 3-naphthalen-2-yl-N-pyridin-4-ylbenzamide?
The canonical SMILES for 3-naphthalen-2-yl-N-pyridin-4-ylbenzamide is O=C(Nc1ccncc1)c1cccc(-c2ccc3ccccc3c2)c1.
What is the InChIKey of 3-naphthalen-2-yl-N-pyridin-4-ylbenzamide?
The InChIKey is NJNLBELULSCGTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16N2O/c25-22(24-21-10-12-23-13-11-21)20-7-3-6-18(15-20)19-9-8-16-4-1-2-5-17(16)14-19/h1-15H,(H,23,24,25).
What are the key properties of 3-naphthalen-2-yl-N-pyridin-4-ylbenzamide?
3-naphthalen-2-yl-N-pyridin-4-ylbenzamide has a molecular weight of 324.38 g/mol, XLogP of 5.15, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-naphthalen-2-yl-N-pyridin-4-ylbenzamide is sourced from PubChem (CID 118722840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).