N,2,4-trimethyl-2,3-dihydropyridine-3-carboxamide

C9H14N2O — CID 142012598

IUPACN,2,4-trimethyl-2,3-dihydropyridine-3-carboxamide
SMILESCNC(=O)C1C(C)=CC=NC1C
InChIInChI=1S/C9H14N2O/c1-6-4-5-11-7(2)8(6)9(12)10-3/h4-5,7-8H,1-3H3,(H,10,12)
InChIKeyGIYIZPXAEWIWSP-UHFFFAOYSA-N
MW166.22 g/mol
LogP0.77
Rot. Bonds1

About N,2,4-trimethyl-2,3-dihydropyridine-3-carboxamide

N,2,4-trimethyl-2,3-dihydropyridine-3-carboxamide (PubChem CID 142012598) has the molecular formula C9H14N2O and a molecular weight of 166.22 g/mol. Its IUPAC name is N,2,4-trimethyl-2,3-dihydropyridine-3-carboxamide.

Molecular Properties

Compound NameN,2,4-trimethyl-2,3-dihydropyridine-3-carboxamide
PubChem CID142012598
Molecular FormulaC9H14N2O
Molecular Weight166.22 g/mol
Exact Mass166.11
IUPAC NameN,2,4-trimethyl-2,3-dihydropyridine-3-carboxamide
SMILESCNC(=O)C1C(C)=CC=NC1C
InChIInChI=1S/C9H14N2O/c1-6-4-5-11-7(2)8(6)9(12)10-3/h4-5,7-8H,1-3H3,(H,10,12)
InChIKeyGIYIZPXAEWIWSP-UHFFFAOYSA-N
XLogP0.77
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.22
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N,2,4-trimethyl-2,3-dihydropyridine-3-carboxamide?
The IUPAC name of N,2,4-trimethyl-2,3-dihydropyridine-3-carboxamide (CID 142012598) is N,2,4-trimethyl-2,3-dihydropyridine-3-carboxamide.
What is the SMILES notation for N,2,4-trimethyl-2,3-dihydropyridine-3-carboxamide?
The canonical SMILES for N,2,4-trimethyl-2,3-dihydropyridine-3-carboxamide is CNC(=O)C1C(C)=CC=NC1C.
What is the InChIKey of N,2,4-trimethyl-2,3-dihydropyridine-3-carboxamide?
The InChIKey is GIYIZPXAEWIWSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O/c1-6-4-5-11-7(2)8(6)9(12)10-3/h4-5,7-8H,1-3H3,(H,10,12).
What are the key properties of N,2,4-trimethyl-2,3-dihydropyridine-3-carboxamide?
N,2,4-trimethyl-2,3-dihydropyridine-3-carboxamide has a molecular weight of 166.22 g/mol, XLogP of 0.77, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,2,4-trimethyl-2,3-dihydropyridine-3-carboxamide is sourced from PubChem (CID 142012598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).