3-methyl-2,3-dihydropyridine-5-carboxamide

C7H10N2O — CID 137427510

IUPAC3-methyl-2,3-dihydropyridine-5-carboxamide
SMILESCC1C=C(C(N)=O)C=NC1
InChIInChI=1S/C7H10N2O/c1-5-2-6(7(8)10)4-9-3-5/h2,4-5H,3H2,1H3,(H2,8,10)
InChIKeyFCBDBHWJWLAUCX-UHFFFAOYSA-N
MW138.17 g/mol
LogP0.12
Rot. Bonds1

About 3-methyl-2,3-dihydropyridine-5-carboxamide

3-methyl-2,3-dihydropyridine-5-carboxamide (PubChem CID 137427510) has the molecular formula C7H10N2O and a molecular weight of 138.17 g/mol. Its IUPAC name is 3-methyl-2,3-dihydropyridine-5-carboxamide.

Molecular Properties

Compound Name3-methyl-2,3-dihydropyridine-5-carboxamide
PubChem CID137427510
Molecular FormulaC7H10N2O
Molecular Weight138.17 g/mol
Exact Mass138.08
IUPAC Name3-methyl-2,3-dihydropyridine-5-carboxamide
SMILESCC1C=C(C(N)=O)C=NC1
InChIInChI=1S/C7H10N2O/c1-5-2-6(7(8)10)4-9-3-5/h2,4-5H,3H2,1H3,(H2,8,10)
InChIKeyFCBDBHWJWLAUCX-UHFFFAOYSA-N
XLogP0.12
TPSA55.45 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 ≤ 50.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-2,3-dihydropyridine-5-carboxamide?
The IUPAC name of 3-methyl-2,3-dihydropyridine-5-carboxamide (CID 137427510) is 3-methyl-2,3-dihydropyridine-5-carboxamide.
What is the SMILES notation for 3-methyl-2,3-dihydropyridine-5-carboxamide?
The canonical SMILES for 3-methyl-2,3-dihydropyridine-5-carboxamide is CC1C=C(C(N)=O)C=NC1.
What is the InChIKey of 3-methyl-2,3-dihydropyridine-5-carboxamide?
The InChIKey is FCBDBHWJWLAUCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O/c1-5-2-6(7(8)10)4-9-3-5/h2,4-5H,3H2,1H3,(H2,8,10).
What are the key properties of 3-methyl-2,3-dihydropyridine-5-carboxamide?
3-methyl-2,3-dihydropyridine-5-carboxamide has a molecular weight of 138.17 g/mol, XLogP of 0.12, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2,3-dihydropyridine-5-carboxamide is sourced from PubChem (CID 137427510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).