N-tert-butyl-3-(2-phenylethyl)pyridine-2-carboxamide

C18H22N2O — CID 14716816

IUPACN-tert-butyl-3-(2-phenylethyl)pyridine-2-carboxamide
SMILESCC(C)(C)NC(=O)c1ncccc1CCc1ccccc1
InChIInChI=1S/C18H22N2O/c1-18(2,3)20-17(21)16-15(10-7-13-19-16)12-11-14-8-5-4-6-9-14/h4-10,13H,11-12H2,1-3H3,(H,20,21)
InChIKeyMPDBYYCGQCKUFF-UHFFFAOYSA-N
MW282.39 g/mol
LogP3.40
Rot. Bonds4

About N-tert-butyl-3-(2-phenylethyl)pyridine-2-carboxamide

N-tert-butyl-3-(2-phenylethyl)pyridine-2-carboxamide (PubChem CID 14716816) has the molecular formula C18H22N2O and a molecular weight of 282.39 g/mol. Its IUPAC name is N-tert-butyl-3-(2-phenylethyl)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-tert-butyl-3-(2-phenylethyl)pyridine-2-carboxamide
PubChem CID14716816
Molecular FormulaC18H22N2O
Molecular Weight282.39 g/mol
Exact Mass282.17
IUPAC NameN-tert-butyl-3-(2-phenylethyl)pyridine-2-carboxamide
SMILESCC(C)(C)NC(=O)c1ncccc1CCc1ccccc1
InChIInChI=1S/C18H22N2O/c1-18(2,3)20-17(21)16-15(10-7-13-19-16)12-11-14-8-5-4-6-9-14/h4-10,13H,11-12H2,1-3H3,(H,20,21)
InChIKeyMPDBYYCGQCKUFF-UHFFFAOYSA-N
XLogP3.40
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-tert-butyl-3-[2-(3-chlorophenyl)ethyl]pyridine-2-carboxamide;N-tert-butyl-3-methylpyridine-2-carboxamide
CID 159745684
N-tert-butyl-3-hydroxypyridine-2-carboxamide
CID 3020808
N-methyl-3-[2-(3-methylphenyl)ethyl]pyridine-2-carboxamide
CID 18338468
4-benzyl-N-tert-butyl-3-oxopyrazine-2-carboxamide
CID 59304332
N-tert-butylisoquinoline-1-carboxamide
CID 62046176
(1-methylpiperidin-4-yl)-[3-(2-phenylethyl)-2-pyridinyl]methanone
CID 14885588
N-tert-butyl-3-[2-(5-fluoro-6-methoxypyrimidin-4-yl)-2-oxoethyl]pyridine-2-carboxamide
CID 126751900
N-[1-[2,6-bis(2-phenylethyl)phenyl]ethyl]pyridine-2-carboxamide
CID 72711534
3-[2-(3-chlorophenyl)ethyl]pyridine-2-carbonyl chloride
CID 21355676
[3-(2-phenylethyl)-2-pyridinyl]methanol
CID 22914797
N-tert-butyl-2-(2-phenylacetyl)benzamide
CID 15197823
N-tert-butyl-2-[4-(2-fluorophenyl)-2-oxobutyl]pyridine-3-carboxamide
CID 91292292

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-3-(2-phenylethyl)pyridine-2-carboxamide?
The IUPAC name of N-tert-butyl-3-(2-phenylethyl)pyridine-2-carboxamide (CID 14716816) is N-tert-butyl-3-(2-phenylethyl)pyridine-2-carboxamide.
What is the SMILES notation for N-tert-butyl-3-(2-phenylethyl)pyridine-2-carboxamide?
The canonical SMILES for N-tert-butyl-3-(2-phenylethyl)pyridine-2-carboxamide is CC(C)(C)NC(=O)c1ncccc1CCc1ccccc1.
What is the InChIKey of N-tert-butyl-3-(2-phenylethyl)pyridine-2-carboxamide?
The InChIKey is MPDBYYCGQCKUFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O/c1-18(2,3)20-17(21)16-15(10-7-13-19-16)12-11-14-8-5-4-6-9-14/h4-10,13H,11-12H2,1-3H3,(H,20,21).
What are the key properties of N-tert-butyl-3-(2-phenylethyl)pyridine-2-carboxamide?
N-tert-butyl-3-(2-phenylethyl)pyridine-2-carboxamide has a molecular weight of 282.39 g/mol, XLogP of 3.40, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-3-(2-phenylethyl)pyridine-2-carboxamide is sourced from PubChem (CID 14716816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).