3-formyl-N-methylpyridine-2-carboxamide

C8H8N2O2 — CID 89245626

IUPAC3-formyl-N-methylpyridine-2-carboxamide
SMILESCNC(=O)c1ncccc1C=O
InChIInChI=1S/C8H8N2O2/c1-9-8(12)7-6(5-11)3-2-4-10-7/h2-5H,1H3,(H,9,12)
InChIKeyZBYOFUDKLUGUHD-UHFFFAOYSA-N
MW164.16 g/mol
LogP0.25
Rot. Bonds2

About 3-formyl-N-methylpyridine-2-carboxamide

3-formyl-N-methylpyridine-2-carboxamide (PubChem CID 89245626) has the molecular formula C8H8N2O2 and a molecular weight of 164.16 g/mol. Its IUPAC name is 3-formyl-N-methylpyridine-2-carboxamide.

Molecular Properties

Compound Name3-formyl-N-methylpyridine-2-carboxamide
PubChem CID89245626
Molecular FormulaC8H8N2O2
Molecular Weight164.16 g/mol
Exact Mass164.06
IUPAC Name3-formyl-N-methylpyridine-2-carboxamide
SMILESCNC(=O)c1ncccc1C=O
InChIInChI=1S/C8H8N2O2/c1-9-8(12)7-6(5-11)3-2-4-10-7/h2-5H,1H3,(H,9,12)
InChIKeyZBYOFUDKLUGUHD-UHFFFAOYSA-N
XLogP0.25
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.16
LogP ≤ 50.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(hydrazinecarbonyl)-N-methylpyridine-2-carboxamide
CID 140772564
2-(pyridine-2-carbonyl)pyridine-3-carbaldehyde
CID 144804032
N-methyl-3-(propan-2-ylamino)pyridine-2-carboxamide
CID 176808648
N-methyl-3-prop-2-enylsulfanylpyridine-2-carboxamide
CID 175395068
2-(3-methyl-2-pyridinyl)-2-oxoacetaldehyde
CID 130026238
(E)-3-[2-(pyrimidin-2-ylcarbamoyl)-3-pyridinyl]prop-2-enoic acid
CID 107525691
(3-formyl-2-pyridinyl)boronic acid
CID 130822828
2-methoxypyridine-3-carbaldehyde;phosphoric acid
CID 172754145
2-(5-chloro-2-hydroxybenzoyl)pyridine-3-carbaldehyde
CID 19701612
(E)-3-[2-(propylcarbamoyl)-3-pyridinyl]prop-2-enoic acid
CID 107525731
3-(3-hydroxy-2-pyridinyl)-N-methylbenzamide
CID 53217910
N-methylpyridine-2-carboxamide;bis(2,2,2-trifluoroacetic acid)
CID 172678259

Frequently Asked Questions

What is the IUPAC name of 3-formyl-N-methylpyridine-2-carboxamide?
The IUPAC name of 3-formyl-N-methylpyridine-2-carboxamide (CID 89245626) is 3-formyl-N-methylpyridine-2-carboxamide.
What is the SMILES notation for 3-formyl-N-methylpyridine-2-carboxamide?
The canonical SMILES for 3-formyl-N-methylpyridine-2-carboxamide is CNC(=O)c1ncccc1C=O.
What is the InChIKey of 3-formyl-N-methylpyridine-2-carboxamide?
The InChIKey is ZBYOFUDKLUGUHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N2O2/c1-9-8(12)7-6(5-11)3-2-4-10-7/h2-5H,1H3,(H,9,12).
What are the key properties of 3-formyl-N-methylpyridine-2-carboxamide?
3-formyl-N-methylpyridine-2-carboxamide has a molecular weight of 164.16 g/mol, XLogP of 0.25, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-formyl-N-methylpyridine-2-carboxamide is sourced from PubChem (CID 89245626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).