5-(3-propan-2-ylphenyl)pyridine-2-carboxamide

C15H16N2O — CID 123211569

IUPAC5-(3-propan-2-ylphenyl)pyridine-2-carboxamide
SMILESCC(C)c1cccc(-c2ccc(C(N)=O)nc2)c1
InChIInChI=1S/C15H16N2O/c1-10(2)11-4-3-5-12(8-11)13-6-7-14(15(16)18)17-9-13/h3-10H,1-2H3,(H2,16,18)
InChIKeyIYTZSAQHGHXLON-UHFFFAOYSA-N
MW240.31 g/mol
LogP2.97
Rot. Bonds3

About 5-(3-propan-2-ylphenyl)pyridine-2-carboxamide

5-(3-propan-2-ylphenyl)pyridine-2-carboxamide (PubChem CID 123211569) has the molecular formula C15H16N2O and a molecular weight of 240.31 g/mol. Its IUPAC name is 5-(3-propan-2-ylphenyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name5-(3-propan-2-ylphenyl)pyridine-2-carboxamide
PubChem CID123211569
Molecular FormulaC15H16N2O
Molecular Weight240.31 g/mol
Exact Mass240.13
IUPAC Name5-(3-propan-2-ylphenyl)pyridine-2-carboxamide
SMILESCC(C)c1cccc(-c2ccc(C(N)=O)nc2)c1
InChIInChI=1S/C15H16N2O/c1-10(2)11-4-3-5-12(8-11)13-6-7-14(15(16)18)17-9-13/h3-10H,1-2H3,(H2,16,18)
InChIKeyIYTZSAQHGHXLON-UHFFFAOYSA-N
XLogP2.97
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.31
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(3-propan-2-ylphenyl)pyridine-2-carboxamide?
The IUPAC name of 5-(3-propan-2-ylphenyl)pyridine-2-carboxamide (CID 123211569) is 5-(3-propan-2-ylphenyl)pyridine-2-carboxamide.
What is the SMILES notation for 5-(3-propan-2-ylphenyl)pyridine-2-carboxamide?
The canonical SMILES for 5-(3-propan-2-ylphenyl)pyridine-2-carboxamide is CC(C)c1cccc(-c2ccc(C(N)=O)nc2)c1.
What is the InChIKey of 5-(3-propan-2-ylphenyl)pyridine-2-carboxamide?
The InChIKey is IYTZSAQHGHXLON-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O/c1-10(2)11-4-3-5-12(8-11)13-6-7-14(15(16)18)17-9-13/h3-10H,1-2H3,(H2,16,18).
What are the key properties of 5-(3-propan-2-ylphenyl)pyridine-2-carboxamide?
5-(3-propan-2-ylphenyl)pyridine-2-carboxamide has a molecular weight of 240.31 g/mol, XLogP of 2.97, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-propan-2-ylphenyl)pyridine-2-carboxamide is sourced from PubChem (CID 123211569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).