2-phenyl-4-propan-2-ylpyridine-3-carboxamide

C15H16N2O — CID 89497605

IUPAC2-phenyl-4-propan-2-ylpyridine-3-carboxamide
SMILESCC(C)c1ccnc(-c2ccccc2)c1C(N)=O
InChIInChI=1S/C15H16N2O/c1-10(2)12-8-9-17-14(13(12)15(16)18)11-6-4-3-5-7-11/h3-10H,1-2H3,(H2,16,18)
InChIKeyRBDVTPXQMISEBX-UHFFFAOYSA-N
MW240.31 g/mol
LogP2.97
Rot. Bonds3

About 2-phenyl-4-propan-2-ylpyridine-3-carboxamide

2-phenyl-4-propan-2-ylpyridine-3-carboxamide (PubChem CID 89497605) has the molecular formula C15H16N2O and a molecular weight of 240.31 g/mol. Its IUPAC name is 2-phenyl-4-propan-2-ylpyridine-3-carboxamide.

Molecular Properties

Compound Name2-phenyl-4-propan-2-ylpyridine-3-carboxamide
PubChem CID89497605
Molecular FormulaC15H16N2O
Molecular Weight240.31 g/mol
Exact Mass240.13
IUPAC Name2-phenyl-4-propan-2-ylpyridine-3-carboxamide
SMILESCC(C)c1ccnc(-c2ccccc2)c1C(N)=O
InChIInChI=1S/C15H16N2O/c1-10(2)12-8-9-17-14(13(12)15(16)18)11-6-4-3-5-7-11/h3-10H,1-2H3,(H2,16,18)
InChIKeyRBDVTPXQMISEBX-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 2-phenyl-4-propan-2-ylpyridine-3-carboxamide?
The IUPAC name of 2-phenyl-4-propan-2-ylpyridine-3-carboxamide (CID 89497605) is 2-phenyl-4-propan-2-ylpyridine-3-carboxamide.
What is the SMILES notation for 2-phenyl-4-propan-2-ylpyridine-3-carboxamide?
The canonical SMILES for 2-phenyl-4-propan-2-ylpyridine-3-carboxamide is CC(C)c1ccnc(-c2ccccc2)c1C(N)=O.
What is the InChIKey of 2-phenyl-4-propan-2-ylpyridine-3-carboxamide?
The InChIKey is RBDVTPXQMISEBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O/c1-10(2)12-8-9-17-14(13(12)15(16)18)11-6-4-3-5-7-11/h3-10H,1-2H3,(H2,16,18).
What are the key properties of 2-phenyl-4-propan-2-ylpyridine-3-carboxamide?
2-phenyl-4-propan-2-ylpyridine-3-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 2-phenyl-4-propan-2-ylpyridine-3-carboxamide is sourced from PubChem (CID 89497605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).