4-formyl-N-methyl-6-(1-phenylethyl)pyridine-2-carboxamide

C16H16N2O2 — CID 131997086

IUPAC4-formyl-N-methyl-6-(1-phenylethyl)pyridine-2-carboxamide
SMILESCNC(=O)c1cc(C=O)cc(C(C)c2ccccc2)n1
InChIInChI=1S/C16H16N2O2/c1-11(13-6-4-3-5-7-13)14-8-12(10-19)9-15(18-14)16(20)17-2/h3-11H,1-2H3,(H,17,20)
InChIKeyALGXZKRRBACZMX-UHFFFAOYSA-N
MW268.32 g/mol
LogP2.41
Rot. Bonds4

About 4-formyl-N-methyl-6-(1-phenylethyl)pyridine-2-carboxamide

4-formyl-N-methyl-6-(1-phenylethyl)pyridine-2-carboxamide (PubChem CID 131997086) has the molecular formula C16H16N2O2 and a molecular weight of 268.32 g/mol. Its IUPAC name is 4-formyl-N-methyl-6-(1-phenylethyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name4-formyl-N-methyl-6-(1-phenylethyl)pyridine-2-carboxamide
PubChem CID131997086
Molecular FormulaC16H16N2O2
Molecular Weight268.32 g/mol
Exact Mass268.12
IUPAC Name4-formyl-N-methyl-6-(1-phenylethyl)pyridine-2-carboxamide
SMILESCNC(=O)c1cc(C=O)cc(C(C)c2ccccc2)n1
InChIInChI=1S/C16H16N2O2/c1-11(13-6-4-3-5-7-13)14-8-12(10-19)9-15(18-14)16(20)17-2/h3-11H,1-2H3,(H,17,20)
InChIKeyALGXZKRRBACZMX-UHFFFAOYSA-N
XLogP2.41
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 52.41
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

2-[(Z)-1-(methylamino)prop-1-enyl]-6-(1-phenylethyl)pyridine-4-carbaldehyde
CID 142417877
2-[(Z)-1-(methylamino)but-1-enyl]-6-(1-phenylethyl)pyridine-4-carbaldehyde
CID 166828831
2-N-methyl-4-N-[(1R,5S)-3-oxabicyclo[3.1.0]hexan-6-yl]-6-[(1R)-1-phenylethyl]pyridine-2,4-dicarboxamide
CID 131997330
2-N-methyl-6-(1-phenylethyl)-4-N-propylpyridine-2,4-dicarboxamide;N-[(Z)-prop-1-enyl]propan-2-imine
CID 142417875
N-methyl-6-[(1S)-1-phenylethyl]-4-[2-(1H-pyrazol-4-yl)acetyl]pyridine-2-carboxamide
CID 157281845
N-methyl-4-[2-(5-methyl-1,3,4-oxadiazol-2-yl)acetyl]-6-[(1S)-1-phenylethyl]pyridine-2-carboxamide
CID 149474637
N-methyl-4-[2-(4-methyl-1,2,4-triazol-3-yl)acetyl]-6-[(1S)-1-phenylethyl]pyridine-2-carboxamide
CID 159053138
N-methyl-4-[4-(1,2-oxazol-4-yl)butanoyl]-6-[(1S)-1-phenylethyl]pyridine-2-carboxamide
CID 161310396
6-[methoxy(phenyl)methyl]-N,4-dimethylpyridine-2-carboxamide
CID 155238147
2-N-methyl-4-N-[2-[(2S)-morpholin-2-yl]ethyl]-6-(1-phenylethyl)pyridine-2,4-dicarboxamide
CID 131997225
N-methyl-4-[4-[(2S)-morpholin-2-yl]butanoyl]-6-[(1R)-1-phenylethyl]pyridine-2-carboxamide
CID 158532323
N-methyl-4-[4-[(2S)-morpholin-2-yl]butanoyl]-6-[(1S)-1-phenylethyl]pyridine-2-carboxamide
CID 158532324

Frequently Asked Questions

What is the IUPAC name of 4-formyl-N-methyl-6-(1-phenylethyl)pyridine-2-carboxamide?
The IUPAC name of 4-formyl-N-methyl-6-(1-phenylethyl)pyridine-2-carboxamide (CID 131997086) is 4-formyl-N-methyl-6-(1-phenylethyl)pyridine-2-carboxamide.
What is the SMILES notation for 4-formyl-N-methyl-6-(1-phenylethyl)pyridine-2-carboxamide?
The canonical SMILES for 4-formyl-N-methyl-6-(1-phenylethyl)pyridine-2-carboxamide is CNC(=O)c1cc(C=O)cc(C(C)c2ccccc2)n1.
What is the InChIKey of 4-formyl-N-methyl-6-(1-phenylethyl)pyridine-2-carboxamide?
The InChIKey is ALGXZKRRBACZMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O2/c1-11(13-6-4-3-5-7-13)14-8-12(10-19)9-15(18-14)16(20)17-2/h3-11H,1-2H3,(H,17,20).
What are the key properties of 4-formyl-N-methyl-6-(1-phenylethyl)pyridine-2-carboxamide?
4-formyl-N-methyl-6-(1-phenylethyl)pyridine-2-carboxamide has a molecular weight of 268.32 g/mol, XLogP of 2.41, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-formyl-N-methyl-6-(1-phenylethyl)pyridine-2-carboxamide is sourced from PubChem (CID 131997086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).