N,4-dimethyl-3,4-dihydropyridine-5-carboxamide

C8H12N2O — CID 163689256

IUPACN,4-dimethyl-3,4-dihydropyridine-5-carboxamide
SMILESCNC(=O)C1=CN=CCC1C
InChIInChI=1S/C8H12N2O/c1-6-3-4-10-5-7(6)8(11)9-2/h4-6H,3H2,1-2H3,(H,9,11)
InChIKeyJRNIVZPLYREJOY-UHFFFAOYSA-N
MW152.20 g/mol
LogP0.73
Rot. Bonds1

About N,4-dimethyl-3,4-dihydropyridine-5-carboxamide

N,4-dimethyl-3,4-dihydropyridine-5-carboxamide (PubChem CID 163689256) has the molecular formula C8H12N2O and a molecular weight of 152.20 g/mol. Its IUPAC name is N,4-dimethyl-3,4-dihydropyridine-5-carboxamide.

Molecular Properties

Compound NameN,4-dimethyl-3,4-dihydropyridine-5-carboxamide
PubChem CID163689256
Molecular FormulaC8H12N2O
Molecular Weight152.20 g/mol
Exact Mass152.09
IUPAC NameN,4-dimethyl-3,4-dihydropyridine-5-carboxamide
SMILESCNC(=O)C1=CN=CCC1C
InChIInChI=1S/C8H12N2O/c1-6-3-4-10-5-7(6)8(11)9-2/h4-6H,3H2,1-2H3,(H,9,11)
InChIKeyJRNIVZPLYREJOY-UHFFFAOYSA-N
XLogP0.73
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.20
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N,4-dimethyl-3,4-dihydropyridine-5-carboxamide?
The IUPAC name of N,4-dimethyl-3,4-dihydropyridine-5-carboxamide (CID 163689256) is N,4-dimethyl-3,4-dihydropyridine-5-carboxamide.
What is the SMILES notation for N,4-dimethyl-3,4-dihydropyridine-5-carboxamide?
The canonical SMILES for N,4-dimethyl-3,4-dihydropyridine-5-carboxamide is CNC(=O)C1=CN=CCC1C.
What is the InChIKey of N,4-dimethyl-3,4-dihydropyridine-5-carboxamide?
The InChIKey is JRNIVZPLYREJOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O/c1-6-3-4-10-5-7(6)8(11)9-2/h4-6H,3H2,1-2H3,(H,9,11).
What are the key properties of N,4-dimethyl-3,4-dihydropyridine-5-carboxamide?
N,4-dimethyl-3,4-dihydropyridine-5-carboxamide has a molecular weight of 152.20 g/mol, XLogP of 0.73, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,4-dimethyl-3,4-dihydropyridine-5-carboxamide is sourced from PubChem (CID 163689256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).