N-methyl-2,5-dihydropyridine-5-carboxamide

C7H10N2O — CID 56627304

IUPACN-methyl-2,5-dihydropyridine-5-carboxamide
SMILESCNC(=O)C1C=CCN=C1
InChIInChI=1S/C7H10N2O/c1-8-7(10)6-3-2-4-9-5-6/h2-3,5-6H,4H2,1H3,(H,8,10)
InChIKeyAWCBUUMXCGSJKW-UHFFFAOYSA-N
MW138.17 g/mol
LogP-0.01
Rot. Bonds1

About N-methyl-2,5-dihydropyridine-5-carboxamide

N-methyl-2,5-dihydropyridine-5-carboxamide (PubChem CID 56627304) has the molecular formula C7H10N2O and a molecular weight of 138.17 g/mol. Its IUPAC name is N-methyl-2,5-dihydropyridine-5-carboxamide.

Molecular Properties

Compound NameN-methyl-2,5-dihydropyridine-5-carboxamide
PubChem CID56627304
Molecular FormulaC7H10N2O
Molecular Weight138.17 g/mol
Exact Mass138.08
IUPAC NameN-methyl-2,5-dihydropyridine-5-carboxamide
SMILESCNC(=O)C1C=CCN=C1
InChIInChI=1S/C7H10N2O/c1-8-7(10)6-3-2-4-9-5-6/h2-3,5-6H,4H2,1H3,(H,8,10)
InChIKeyAWCBUUMXCGSJKW-UHFFFAOYSA-N
XLogP-0.01
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.17
LogP ≤ 5-0.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2,5-dihydropyridine-5-carboxamide?
The IUPAC name of N-methyl-2,5-dihydropyridine-5-carboxamide (CID 56627304) is N-methyl-2,5-dihydropyridine-5-carboxamide.
What is the SMILES notation for N-methyl-2,5-dihydropyridine-5-carboxamide?
The canonical SMILES for N-methyl-2,5-dihydropyridine-5-carboxamide is CNC(=O)C1C=CCN=C1.
What is the InChIKey of N-methyl-2,5-dihydropyridine-5-carboxamide?
The InChIKey is AWCBUUMXCGSJKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O/c1-8-7(10)6-3-2-4-9-5-6/h2-3,5-6H,4H2,1H3,(H,8,10).
What are the key properties of N-methyl-2,5-dihydropyridine-5-carboxamide?
N-methyl-2,5-dihydropyridine-5-carboxamide has a molecular weight of 138.17 g/mol, XLogP of -0.01, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2,5-dihydropyridine-5-carboxamide is sourced from PubChem (CID 56627304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).