N-tert-butyl-5-phenylpyridine-3-carboxamide

C16H18N2O — CID 3040022

IUPACN-tert-butyl-5-phenylpyridine-3-carboxamide
SMILESCC(C)(C)NC(=O)c1cncc(-c2ccccc2)c1
InChIInChI=1S/C16H18N2O/c1-16(2,3)18-15(19)14-9-13(10-17-11-14)12-7-5-4-6-8-12/h4-11H,1-3H3,(H,18,19)
InChIKeyWXJSYCBJCACERH-UHFFFAOYSA-N
MW254.33 g/mol
LogP3.28
Rot. Bonds2

About N-tert-butyl-5-phenylpyridine-3-carboxamide

N-tert-butyl-5-phenylpyridine-3-carboxamide (PubChem CID 3040022) has the molecular formula C16H18N2O and a molecular weight of 254.33 g/mol. Its IUPAC name is N-tert-butyl-5-phenylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-tert-butyl-5-phenylpyridine-3-carboxamide
PubChem CID3040022
Molecular FormulaC16H18N2O
Molecular Weight254.33 g/mol
Exact Mass254.14
IUPAC NameN-tert-butyl-5-phenylpyridine-3-carboxamide
SMILESCC(C)(C)NC(=O)c1cncc(-c2ccccc2)c1
InChIInChI=1S/C16H18N2O/c1-16(2,3)18-15(19)14-9-13(10-17-11-14)12-7-5-4-6-8-12/h4-11H,1-3H3,(H,18,19)
InChIKeyWXJSYCBJCACERH-UHFFFAOYSA-N
XLogP3.28
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 ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-5-phenylpyridine-3-carboxamide?
The IUPAC name of N-tert-butyl-5-phenylpyridine-3-carboxamide (CID 3040022) is N-tert-butyl-5-phenylpyridine-3-carboxamide.
What is the SMILES notation for N-tert-butyl-5-phenylpyridine-3-carboxamide?
The canonical SMILES for N-tert-butyl-5-phenylpyridine-3-carboxamide is CC(C)(C)NC(=O)c1cncc(-c2ccccc2)c1.
What is the InChIKey of N-tert-butyl-5-phenylpyridine-3-carboxamide?
The InChIKey is WXJSYCBJCACERH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O/c1-16(2,3)18-15(19)14-9-13(10-17-11-14)12-7-5-4-6-8-12/h4-11H,1-3H3,(H,18,19).
What are the key properties of N-tert-butyl-5-phenylpyridine-3-carboxamide?
N-tert-butyl-5-phenylpyridine-3-carboxamide has a molecular weight of 254.33 g/mol, XLogP of 3.28, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-5-phenylpyridine-3-carboxamide is sourced from PubChem (CID 3040022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).