N-(2-tert-butylphenyl)pyridine-3-carboxamide

C16H18N2O — CID 1244993

IUPACN-(2-tert-butylphenyl)pyridine-3-carboxamide
SMILESCC(C)(C)c1ccccc1NC(=O)c1cccnc1
InChIInChI=1S/C16H18N2O/c1-16(2,3)13-8-4-5-9-14(13)18-15(19)12-7-6-10-17-11-12/h4-11H,1-3H3,(H,18,19)
InChIKeyAEENEVNHEYYRQC-UHFFFAOYSA-N
MW254.33 g/mol
LogP3.63
Rot. Bonds2

About N-(2-tert-butylphenyl)pyridine-3-carboxamide

N-(2-tert-butylphenyl)pyridine-3-carboxamide (PubChem CID 1244993) has the molecular formula C16H18N2O and a molecular weight of 254.33 g/mol. Its IUPAC name is N-(2-tert-butylphenyl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(2-tert-butylphenyl)pyridine-3-carboxamide
PubChem CID1244993
Molecular FormulaC16H18N2O
Molecular Weight254.33 g/mol
Exact Mass254.14
IUPAC NameN-(2-tert-butylphenyl)pyridine-3-carboxamide
SMILESCC(C)(C)c1ccccc1NC(=O)c1cccnc1
InChIInChI=1S/C16H18N2O/c1-16(2,3)13-8-4-5-9-14(13)18-15(19)12-7-6-10-17-11-12/h4-11H,1-3H3,(H,18,19)
InChIKeyAEENEVNHEYYRQC-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-[(4-tert-butylbenzoyl)amino]phenyl]pyridine-3-carboxamide
CID 31974220
N-(2-tert-butylphenyl)pyridine-4-carboxamide
CID 2446338
N-[2-[[(E)-4,4-dimethylpent-2-enoyl]amino]phenyl]pyridine-3-carboxamide
CID 108925424
N-[2-[[(E)-3,4,4-trimethylpent-2-enoyl]amino]phenyl]pyridine-3-carboxamide
CID 108925434
N-(2-tert-butylphenyl)-1-methylpyrazole-4-carboxamide
CID 844627
6-bromo-N-(2-tert-butylphenyl)pyridine-3-carboxamide
CID 66463109
5-(tert-butylamino)-N-(2-tert-butylphenyl)pyridine-3-carboxamide
CID 109239410
N-[2-(trifluoromethylsulfonyl)phenyl]pyridine-3-carboxamide
CID 171501184
N-(2-tert-butylphenyl)-4-iodobenzamide
CID 60628050
N-[2-(pyridine-3-carbonylamino)phenyl]pyridine-2-carboxamide
CID 108925361
N-naphthalen-1-ylpyridine-3-carboxamide
CID 532824
5-N-(2-tert-butylphenyl)-3-N-(2-methoxyethyl)pyridine-3,5-dicarboxamide
CID 109103485

Frequently Asked Questions

What is the IUPAC name of N-(2-tert-butylphenyl)pyridine-3-carboxamide?
The IUPAC name of N-(2-tert-butylphenyl)pyridine-3-carboxamide (CID 1244993) is N-(2-tert-butylphenyl)pyridine-3-carboxamide.
What is the SMILES notation for N-(2-tert-butylphenyl)pyridine-3-carboxamide?
The canonical SMILES for N-(2-tert-butylphenyl)pyridine-3-carboxamide is CC(C)(C)c1ccccc1NC(=O)c1cccnc1.
What is the InChIKey of N-(2-tert-butylphenyl)pyridine-3-carboxamide?
The InChIKey is AEENEVNHEYYRQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O/c1-16(2,3)13-8-4-5-9-14(13)18-15(19)12-7-6-10-17-11-12/h4-11H,1-3H3,(H,18,19).
What are the key properties of N-(2-tert-butylphenyl)pyridine-3-carboxamide?
N-(2-tert-butylphenyl)pyridine-3-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-3-carboxamide is sourced from PubChem (CID 1244993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).