N-(2-tert-butylphenyl)pyridine-4-carboxamide

C16H18N2O — CID 2446338

IUPACN-(2-tert-butylphenyl)pyridine-4-carboxamide
SMILESCC(C)(C)c1ccccc1NC(=O)c1ccncc1
InChIInChI=1S/C16H18N2O/c1-16(2,3)13-6-4-5-7-14(13)18-15(19)12-8-10-17-11-9-12/h4-11H,1-3H3,(H,18,19)
InChIKeyICEDIJQHIHTFJI-UHFFFAOYSA-N
MW254.33 g/mol
LogP3.63
Rot. Bonds2

About N-(2-tert-butylphenyl)pyridine-4-carboxamide

N-(2-tert-butylphenyl)pyridine-4-carboxamide (PubChem CID 2446338) has the molecular formula C16H18N2O and a molecular weight of 254.33 g/mol. Its IUPAC name is N-(2-tert-butylphenyl)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-(2-tert-butylphenyl)pyridine-4-carboxamide
PubChem CID2446338
Molecular FormulaC16H18N2O
Molecular Weight254.33 g/mol
Exact Mass254.14
IUPAC NameN-(2-tert-butylphenyl)pyridine-4-carboxamide
SMILESCC(C)(C)c1ccccc1NC(=O)c1ccncc1
InChIInChI=1S/C16H18N2O/c1-16(2,3)13-6-4-5-7-14(13)18-15(19)12-8-10-17-11-9-12/h4-11H,1-3H3,(H,18,19)
InChIKeyICEDIJQHIHTFJI-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

N-(2-tert-butylphenyl)pyridine-3-carboxamide
CID 1244993
N-[2-(trifluoromethyl)phenyl]pyridine-4-carboxamide;hydrochloride
CID 110756505
N-(2-tert-butylphenyl)-4-iodobenzamide
CID 60628050
N-(2-tert-butylphenyl)-4-cyanobenzamide
CID 7688668
2-N-(2-tert-butylphenyl)-4-N-(pyridin-4-ylmethyl)pyridine-2,4-dicarboxamide
CID 109087550
N-(2-methylsulfanylphenyl)pyridine-4-carboxamide
CID 1244343
N-(2-tert-butylphenyl)-4-(trifluoromethoxy)benzamide
CID 2441416
N-(2-tert-butylphenyl)-1-methylpyrazole-4-carboxamide
CID 844627
4-N-(2-tert-butylphenyl)-1-N-prop-2-enylbenzene-1,4-dicarboxamide
CID 109043561
6-bromo-N-(2-tert-butylphenyl)pyridine-3-carboxamide
CID 66463109
N-(2-bromophenyl)pyridine-4-carboxamide
CID 882176
5-(tert-butylamino)-N-(2-tert-butylphenyl)pyridine-3-carboxamide
CID 109239410

Frequently Asked Questions

What is the IUPAC name of N-(2-tert-butylphenyl)pyridine-4-carboxamide?
The IUPAC name of N-(2-tert-butylphenyl)pyridine-4-carboxamide (CID 2446338) is N-(2-tert-butylphenyl)pyridine-4-carboxamide.
What is the SMILES notation for N-(2-tert-butylphenyl)pyridine-4-carboxamide?
The canonical SMILES for N-(2-tert-butylphenyl)pyridine-4-carboxamide is CC(C)(C)c1ccccc1NC(=O)c1ccncc1.
What is the InChIKey of N-(2-tert-butylphenyl)pyridine-4-carboxamide?
The InChIKey is ICEDIJQHIHTFJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O/c1-16(2,3)13-6-4-5-7-14(13)18-15(19)12-8-10-17-11-9-12/h4-11H,1-3H3,(H,18,19).
What are the key properties of N-(2-tert-butylphenyl)pyridine-4-carboxamide?
N-(2-tert-butylphenyl)pyridine-4-carboxamide 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 N-(2-tert-butylphenyl)pyridine-4-carboxamide is sourced from PubChem (CID 2446338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).