4-tert-butyl-N-pyridin-3-ylbenzamide

C16H18N2O — CID 676176

IUPAC4-tert-butyl-N-pyridin-3-ylbenzamide
SMILESCC(C)(C)c1ccc(C(=O)Nc2cccnc2)cc1
InChIInChI=1S/C16H18N2O/c1-16(2,3)13-8-6-12(7-9-13)15(19)18-14-5-4-10-17-11-14/h4-11H,1-3H3,(H,18,19)
InChIKeyBTSLXLVSRNBQDM-UHFFFAOYSA-N
MW254.33 g/mol
LogP3.63
Rot. Bonds2

About 4-tert-butyl-N-pyridin-3-ylbenzamide

4-tert-butyl-N-pyridin-3-ylbenzamide (PubChem CID 676176) has the molecular formula C16H18N2O and a molecular weight of 254.33 g/mol. Its IUPAC name is 4-tert-butyl-N-pyridin-3-ylbenzamide.

Molecular Properties

Compound Name4-tert-butyl-N-pyridin-3-ylbenzamide
PubChem CID676176
Molecular FormulaC16H18N2O
Molecular Weight254.33 g/mol
Exact Mass254.14
IUPAC Name4-tert-butyl-N-pyridin-3-ylbenzamide
SMILESCC(C)(C)c1ccc(C(=O)Nc2cccnc2)cc1
InChIInChI=1S/C16H18N2O/c1-16(2,3)13-8-6-12(7-9-13)15(19)18-14-5-4-10-17-11-14/h4-11H,1-3H3,(H,18,19)
InChIKeyBTSLXLVSRNBQDM-UHFFFAOYSA-N
XLogP3.63
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-hydroxy-N-pyridin-3-ylbenzamide
CID 15965764
N-[3-(4-tert-butylbenzoyl)phenyl]pyridine-3-carboxamide
CID 100629013
N-pyridin-3-ylbenzamide;dihydrochloride
CID 174671785
4-tert-butyl-N-pyrimidin-5-ylbenzamide
CID 76848988
N-[2-[(4-tert-butylbenzoyl)amino]phenyl]pyridine-3-carboxamide
CID 31974220
4-N-(4-tert-butylphenyl)-1-N-(pyridin-3-ylmethyl)benzene-1,4-dicarboxamide
CID 109047675
4-[(4-chlorobenzoyl)amino]-N-pyridin-3-ylbenzamide
CID 38754764
4-(carbamoylamino)-N-pyridin-3-ylbenzamide
CID 13387851
4-(aminomethyl)-N-pyridin-3-ylbenzamide
CID 16774572
1-N,3-N-dipyridin-3-ylbenzene-1,3-dicarboxamide
CID 679756
N-[3-[[(4-tert-butylbenzoyl)amino]methyl]phenyl]pyridine-3-carboxamide
CID 108926353
(4-tert-butylphenyl)methyl N-pyridin-3-ylcarbamate
CID 1213745

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-pyridin-3-ylbenzamide?
The IUPAC name of 4-tert-butyl-N-pyridin-3-ylbenzamide (CID 676176) is 4-tert-butyl-N-pyridin-3-ylbenzamide.
What is the SMILES notation for 4-tert-butyl-N-pyridin-3-ylbenzamide?
The canonical SMILES for 4-tert-butyl-N-pyridin-3-ylbenzamide is CC(C)(C)c1ccc(C(=O)Nc2cccnc2)cc1.
What is the InChIKey of 4-tert-butyl-N-pyridin-3-ylbenzamide?
The InChIKey is BTSLXLVSRNBQDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O/c1-16(2,3)13-8-6-12(7-9-13)15(19)18-14-5-4-10-17-11-14/h4-11H,1-3H3,(H,18,19).
What are the key properties of 4-tert-butyl-N-pyridin-3-ylbenzamide?
4-tert-butyl-N-pyridin-3-ylbenzamide has a molecular weight of 254.33 g/mol, XLogP of 3.63, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-pyridin-3-ylbenzamide is sourced from PubChem (CID 676176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).