N,5,6-trimethyl-N-(3-phenylprop-2-enyl)pyridine-3-carboxamide

C18H20N2O — CID 171134567

IUPACN,5,6-trimethyl-N-(3-phenylprop-2-enyl)pyridine-3-carboxamide
SMILESCc1cc(C(=O)N(C)CC=Cc2ccccc2)cnc1C
InChIInChI=1S/C18H20N2O/c1-14-12-17(13-19-15(14)2)18(21)20(3)11-7-10-16-8-5-4-6-9-16/h4-10,12-13H,11H2,1-3H3
InChIKeyOXWLNNDDJMOPOY-UHFFFAOYSA-N
MW280.37 g/mol
LogP3.48
Rot. Bonds4

About N,5,6-trimethyl-N-(3-phenylprop-2-enyl)pyridine-3-carboxamide

N,5,6-trimethyl-N-(3-phenylprop-2-enyl)pyridine-3-carboxamide (PubChem CID 171134567) has the molecular formula C18H20N2O and a molecular weight of 280.37 g/mol. Its IUPAC name is N,5,6-trimethyl-N-(3-phenylprop-2-enyl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN,5,6-trimethyl-N-(3-phenylprop-2-enyl)pyridine-3-carboxamide
PubChem CID171134567
Molecular FormulaC18H20N2O
Molecular Weight280.37 g/mol
Exact Mass280.16
IUPAC NameN,5,6-trimethyl-N-(3-phenylprop-2-enyl)pyridine-3-carboxamide
SMILESCc1cc(C(=O)N(C)CC=Cc2ccccc2)cnc1C
InChIInChI=1S/C18H20N2O/c1-14-12-17(13-19-15(14)2)18(21)20(3)11-7-10-16-8-5-4-6-9-16/h4-10,12-13H,11H2,1-3H3
InChIKeyOXWLNNDDJMOPOY-UHFFFAOYSA-N
XLogP3.48
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N,5,6-trimethyl-N-(3-phenylprop-2-enyl)pyridine-3-carboxamide?
The IUPAC name of N,5,6-trimethyl-N-(3-phenylprop-2-enyl)pyridine-3-carboxamide (CID 171134567) is N,5,6-trimethyl-N-(3-phenylprop-2-enyl)pyridine-3-carboxamide.
What is the SMILES notation for N,5,6-trimethyl-N-(3-phenylprop-2-enyl)pyridine-3-carboxamide?
The canonical SMILES for N,5,6-trimethyl-N-(3-phenylprop-2-enyl)pyridine-3-carboxamide is Cc1cc(C(=O)N(C)CC=Cc2ccccc2)cnc1C.
What is the InChIKey of N,5,6-trimethyl-N-(3-phenylprop-2-enyl)pyridine-3-carboxamide?
The InChIKey is OXWLNNDDJMOPOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O/c1-14-12-17(13-19-15(14)2)18(21)20(3)11-7-10-16-8-5-4-6-9-16/h4-10,12-13H,11H2,1-3H3.
What are the key properties of N,5,6-trimethyl-N-(3-phenylprop-2-enyl)pyridine-3-carboxamide?
N,5,6-trimethyl-N-(3-phenylprop-2-enyl)pyridine-3-carboxamide has a molecular weight of 280.37 g/mol, XLogP of 3.48, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,5,6-trimethyl-N-(3-phenylprop-2-enyl)pyridine-3-carboxamide is sourced from PubChem (CID 171134567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).