1-methyl-4H-pyridine-3-carboxamide;1-methylpyridin-1-ium-3-carboxamide

C14H19N4O2+ — CID 159877072

IUPAC1-methyl-4H-pyridine-3-carboxamide;1-methylpyridin-1-ium-3-carboxamide
SMILESCN1C=CCC(C(N)=O)=C1.C[n+]1cccc(C(N)=O)c1
InChIInChI=1S/C7H10N2O.C7H8N2O/c2*1-9-4-2-3-6(5-9)7(8)10/h2,4-5H,3H2,1H3,(H2,8,10);2-5H,1H3,(H-,8,10)/p+1
InChIKeyNTARZIYWSHYJBE-UHFFFAOYSA-O
MW275.33 g/mol
LogP-0.19
Rot. Bonds2

About 1-methyl-4H-pyridine-3-carboxamide;1-methylpyridin-1-ium-3-carboxamide

1-methyl-4H-pyridine-3-carboxamide;1-methylpyridin-1-ium-3-carboxamide (PubChem CID 159877072) has the molecular formula C14H19N4O2+ and a molecular weight of 275.33 g/mol. Its IUPAC name is 1-methyl-4H-pyridine-3-carboxamide;1-methylpyridin-1-ium-3-carboxamide.

Molecular Properties

Compound Name1-methyl-4H-pyridine-3-carboxamide;1-methylpyridin-1-ium-3-carboxamide
PubChem CID159877072
Molecular FormulaC14H19N4O2+
Molecular Weight275.33 g/mol
Exact Mass275.15
IUPAC Name1-methyl-4H-pyridine-3-carboxamide;1-methylpyridin-1-ium-3-carboxamide
SMILESCN1C=CCC(C(N)=O)=C1.C[n+]1cccc(C(N)=O)c1
InChIInChI=1S/C7H10N2O.C7H8N2O/c2*1-9-4-2-3-6(5-9)7(8)10/h2,4-5H,3H2,1H3,(H2,8,10);2-5H,1H3,(H-,8,10)/p+1
InChIKeyNTARZIYWSHYJBE-UHFFFAOYSA-O
XLogP-0.19
TPSA93.30 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.33
LogP ≤ 5-0.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-4H-pyridine-3-carboxamide;1-methylpyridin-1-ium-3-carboxamide?
The IUPAC name of 1-methyl-4H-pyridine-3-carboxamide;1-methylpyridin-1-ium-3-carboxamide (CID 159877072) is 1-methyl-4H-pyridine-3-carboxamide;1-methylpyridin-1-ium-3-carboxamide.
What is the SMILES notation for 1-methyl-4H-pyridine-3-carboxamide;1-methylpyridin-1-ium-3-carboxamide?
The canonical SMILES for 1-methyl-4H-pyridine-3-carboxamide;1-methylpyridin-1-ium-3-carboxamide is CN1C=CCC(C(N)=O)=C1.C[n+]1cccc(C(N)=O)c1.
What is the InChIKey of 1-methyl-4H-pyridine-3-carboxamide;1-methylpyridin-1-ium-3-carboxamide?
The InChIKey is NTARZIYWSHYJBE-UHFFFAOYSA-O. The full InChI is InChI=1S/C7H10N2O.C7H8N2O/c2*1-9-4-2-3-6(5-9)7(8)10/h2,4-5H,3H2,1H3,(H2,8,10);2-5H,1H3,(H-,8,10)/p+1.
What are the key properties of 1-methyl-4H-pyridine-3-carboxamide;1-methylpyridin-1-ium-3-carboxamide?
1-methyl-4H-pyridine-3-carboxamide;1-methylpyridin-1-ium-3-carboxamide has a molecular weight of 275.33 g/mol, XLogP of -0.19, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4H-pyridine-3-carboxamide;1-methylpyridin-1-ium-3-carboxamide is sourced from PubChem (CID 159877072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).