N,3-dimethyl-2,3-dihydropyridine-5-carboxamide

C8H12N2O — CID 123307049

IUPACN,3-dimethyl-2,3-dihydropyridine-5-carboxamide
SMILESCNC(=O)C1=CC(C)CN=C1
InChIInChI=1S/C8H12N2O/c1-6-3-7(5-10-4-6)8(11)9-2/h3,5-6H,4H2,1-2H3,(H,9,11)
InChIKeyZDOBPLAJTNANOG-UHFFFAOYSA-N
MW152.20 g/mol
LogP0.38
Rot. Bonds1

About N,3-dimethyl-2,3-dihydropyridine-5-carboxamide

N,3-dimethyl-2,3-dihydropyridine-5-carboxamide (PubChem CID 123307049) has the molecular formula C8H12N2O and a molecular weight of 152.20 g/mol. Its IUPAC name is N,3-dimethyl-2,3-dihydropyridine-5-carboxamide.

Molecular Properties

Compound NameN,3-dimethyl-2,3-dihydropyridine-5-carboxamide
PubChem CID123307049
Molecular FormulaC8H12N2O
Molecular Weight152.20 g/mol
Exact Mass152.09
IUPAC NameN,3-dimethyl-2,3-dihydropyridine-5-carboxamide
SMILESCNC(=O)C1=CC(C)CN=C1
InChIInChI=1S/C8H12N2O/c1-6-3-7(5-10-4-6)8(11)9-2/h3,5-6H,4H2,1-2H3,(H,9,11)
InChIKeyZDOBPLAJTNANOG-UHFFFAOYSA-N
XLogP0.38
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 ≤ 50.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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N-methyl-2,3-dihydropyridine-5-carboxamide
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N-methyl-2,5-dihydropyridine-5-carboxamide
CID 56627304
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CID 57064204
CID 59369479
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5,5-Dimethyl-6-oxopyridine-3-carboxamide
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N,N,3-trimethyl-2,3-dihydropyridine-5-carboxamide
CID 68348581
2,3-Dihydropyridine-5-carboxamide
CID 69027120
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Frequently Asked Questions

What is the IUPAC name of N,3-dimethyl-2,3-dihydropyridine-5-carboxamide?
The IUPAC name of N,3-dimethyl-2,3-dihydropyridine-5-carboxamide (CID 123307049) is N,3-dimethyl-2,3-dihydropyridine-5-carboxamide.
What is the SMILES notation for N,3-dimethyl-2,3-dihydropyridine-5-carboxamide?
The canonical SMILES for N,3-dimethyl-2,3-dihydropyridine-5-carboxamide is CNC(=O)C1=CC(C)CN=C1.
What is the InChIKey of N,3-dimethyl-2,3-dihydropyridine-5-carboxamide?
The InChIKey is ZDOBPLAJTNANOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O/c1-6-3-7(5-10-4-6)8(11)9-2/h3,5-6H,4H2,1-2H3,(H,9,11).
What are the key properties of N,3-dimethyl-2,3-dihydropyridine-5-carboxamide?
N,3-dimethyl-2,3-dihydropyridine-5-carboxamide has a molecular weight of 152.20 g/mol, XLogP of 0.38, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,3-dimethyl-2,3-dihydropyridine-5-carboxamide is sourced from PubChem (CID 123307049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).