5-cyano-N-[(4-methoxyphenyl)methyl]-N-methylpyridine-2-carboxamide

C16H15N3O2 — CID 63718577

IUPAC5-cyano-N-[(4-methoxyphenyl)methyl]-N-methylpyridine-2-carboxamide
SMILESCOc1ccc(CN(C)C(=O)c2ccc(C#N)cn2)cc1
InChIInChI=1S/C16H15N3O2/c1-19(11-12-3-6-14(21-2)7-4-12)16(20)15-8-5-13(9-17)10-18-15/h3-8,10H,11H2,1-2H3
InChIKeyGUNJVMKWCJXTHL-UHFFFAOYSA-N
MW281.32 g/mol
LogP2.23
Rot. Bonds4

About 5-cyano-N-[(4-methoxyphenyl)methyl]-N-methylpyridine-2-carboxamide

5-cyano-N-[(4-methoxyphenyl)methyl]-N-methylpyridine-2-carboxamide (PubChem CID 63718577) has the molecular formula C16H15N3O2 and a molecular weight of 281.32 g/mol. Its IUPAC name is 5-cyano-N-[(4-methoxyphenyl)methyl]-N-methylpyridine-2-carboxamide.

Molecular Properties

Compound Name5-cyano-N-[(4-methoxyphenyl)methyl]-N-methylpyridine-2-carboxamide
PubChem CID63718577
Molecular FormulaC16H15N3O2
Molecular Weight281.32 g/mol
Exact Mass281.12
IUPAC Name5-cyano-N-[(4-methoxyphenyl)methyl]-N-methylpyridine-2-carboxamide
SMILESCOc1ccc(CN(C)C(=O)c2ccc(C#N)cn2)cc1
InChIInChI=1S/C16H15N3O2/c1-19(11-12-3-6-14(21-2)7-4-12)16(20)15-8-5-13(9-17)10-18-15/h3-8,10H,11H2,1-2H3
InChIKeyGUNJVMKWCJXTHL-UHFFFAOYSA-N
XLogP2.23
TPSA66.22 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.32
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-cyano-N-[(4-methoxyphenyl)methyl]-N-methylbenzamide
CID 23508555
5-cyano-N-methyl-N-[(5-methylfuran-2-yl)methyl]pyridine-2-carboxamide
CID 55230950
5-cyano-N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]pyridine-2-carboxamide
CID 64511384
ethyl 2-[(5-cyanopyridine-2-carbonyl)-methylamino]acetate
CID 55231343
5-cyano-N-methyl-N-[(1-methylimidazol-2-yl)methyl]pyridine-2-carboxamide
CID 63718606
2-(4-cyanophenoxy)-N-[(4-methoxyphenyl)methyl]-N-methylpropanamide
CID 51155118
ethyl 3-[(5-cyanopyridine-2-carbonyl)-methylamino]propanoate
CID 63717533
5-cyano-N-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)pyridine-2-carboxamide
CID 86783276
5-(aminomethyl)-N-[(3-methoxyphenyl)methyl]-N-methylpyridine-2-carboxamide
CID 63722518
5-amino-N-[(3-cyanophenyl)methyl]-N-methylpyridine-2-carboxamide
CID 81316278
6-fluoro-N-[(4-methoxyphenyl)methyl]-N-methylpyridine-3-carboxamide
CID 63979680
5-cyano-N-methyl-N-(oxan-4-ylmethyl)pyridine-2-carboxamide
CID 63770699

Frequently Asked Questions

What is the IUPAC name of 5-cyano-N-[(4-methoxyphenyl)methyl]-N-methylpyridine-2-carboxamide?
The IUPAC name of 5-cyano-N-[(4-methoxyphenyl)methyl]-N-methylpyridine-2-carboxamide (CID 63718577) is 5-cyano-N-[(4-methoxyphenyl)methyl]-N-methylpyridine-2-carboxamide.
What is the SMILES notation for 5-cyano-N-[(4-methoxyphenyl)methyl]-N-methylpyridine-2-carboxamide?
The canonical SMILES for 5-cyano-N-[(4-methoxyphenyl)methyl]-N-methylpyridine-2-carboxamide is COc1ccc(CN(C)C(=O)c2ccc(C#N)cn2)cc1.
What is the InChIKey of 5-cyano-N-[(4-methoxyphenyl)methyl]-N-methylpyridine-2-carboxamide?
The InChIKey is GUNJVMKWCJXTHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O2/c1-19(11-12-3-6-14(21-2)7-4-12)16(20)15-8-5-13(9-17)10-18-15/h3-8,10H,11H2,1-2H3.
What are the key properties of 5-cyano-N-[(4-methoxyphenyl)methyl]-N-methylpyridine-2-carboxamide?
5-cyano-N-[(4-methoxyphenyl)methyl]-N-methylpyridine-2-carboxamide has a molecular weight of 281.32 g/mol, XLogP of 2.23, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyano-N-[(4-methoxyphenyl)methyl]-N-methylpyridine-2-carboxamide is sourced from PubChem (CID 63718577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).