2-tert-butyl-N-naphthalen-1-ylpyridine-4-carboxamide

C20H20N2O — CID 826917

IUPAC2-tert-butyl-N-naphthalen-1-ylpyridine-4-carboxamide
SMILESCC(C)(C)c1cc(C(=O)Nc2cccc3ccccc23)ccn1
InChIInChI=1S/C20H20N2O/c1-20(2,3)18-13-15(11-12-21-18)19(23)22-17-10-6-8-14-7-4-5-9-16(14)17/h4-13H,1-3H3,(H,22,23)
InChIKeyNMLOJZDEGIBRHH-UHFFFAOYSA-N
MW304.39 g/mol
LogP4.78
Rot. Bonds2

About 2-tert-butyl-N-naphthalen-1-ylpyridine-4-carboxamide

2-tert-butyl-N-naphthalen-1-ylpyridine-4-carboxamide (PubChem CID 826917) has the molecular formula C20H20N2O and a molecular weight of 304.39 g/mol. Its IUPAC name is 2-tert-butyl-N-naphthalen-1-ylpyridine-4-carboxamide.

Molecular Properties

Compound Name2-tert-butyl-N-naphthalen-1-ylpyridine-4-carboxamide
PubChem CID826917
Molecular FormulaC20H20N2O
Molecular Weight304.39 g/mol
Exact Mass304.16
IUPAC Name2-tert-butyl-N-naphthalen-1-ylpyridine-4-carboxamide
SMILESCC(C)(C)c1cc(C(=O)Nc2cccc3ccccc23)ccn1
InChIInChI=1S/C20H20N2O/c1-20(2,3)18-13-15(11-12-21-18)19(23)22-17-10-6-8-14-7-4-5-9-16(14)17/h4-13H,1-3H3,(H,22,23)
InChIKeyNMLOJZDEGIBRHH-UHFFFAOYSA-N
XLogP4.78
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(methylamino)-N-naphthalen-1-ylpyridine-4-carboxamide
CID 62185750
2-hydrazinyl-N-naphthalen-1-ylpyridine-4-carboxamide
CID 62233221
3-(2,2-dimethylpropanoylamino)-N-naphthalen-1-ylbenzamide
CID 35186877
2-tert-butyl-N-(3,5-dimethylphenyl)pyridine-4-carboxamide
CID 4731308
2-tert-butyl-N-(2-methoxy-5-methylphenyl)pyridine-4-carboxamide
CID 4731310
N-(2-tert-butyl-4-pyridinyl)pyridine-4-carboxamide
CID 110444823
N-naphthalen-1-ylpyridine-3-carboxamide
CID 532824
4-amino-N-naphthalen-1-ylpyridine-2-carboxamide
CID 62152141
N-isoquinolin-5-yl-2-(methylamino)pyridine-4-carboxamide
CID 62180377
N-naphthalen-1-yl-3-(propanoylamino)benzamide
CID 51179801
N-naphthalen-1-yl-9,10-dioxoanthracene-2-carboxamide
CID 102214638
N'-(2-bromobenzoyl)-2-tert-butylpyridine-4-carbohydrazide
CID 4731414

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-N-naphthalen-1-ylpyridine-4-carboxamide?
The IUPAC name of 2-tert-butyl-N-naphthalen-1-ylpyridine-4-carboxamide (CID 826917) is 2-tert-butyl-N-naphthalen-1-ylpyridine-4-carboxamide.
What is the SMILES notation for 2-tert-butyl-N-naphthalen-1-ylpyridine-4-carboxamide?
The canonical SMILES for 2-tert-butyl-N-naphthalen-1-ylpyridine-4-carboxamide is CC(C)(C)c1cc(C(=O)Nc2cccc3ccccc23)ccn1.
What is the InChIKey of 2-tert-butyl-N-naphthalen-1-ylpyridine-4-carboxamide?
The InChIKey is NMLOJZDEGIBRHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O/c1-20(2,3)18-13-15(11-12-21-18)19(23)22-17-10-6-8-14-7-4-5-9-16(14)17/h4-13H,1-3H3,(H,22,23).
What are the key properties of 2-tert-butyl-N-naphthalen-1-ylpyridine-4-carboxamide?
2-tert-butyl-N-naphthalen-1-ylpyridine-4-carboxamide has a molecular weight of 304.39 g/mol, XLogP of 4.78, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-N-naphthalen-1-ylpyridine-4-carboxamide is sourced from PubChem (CID 826917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).