N-[cyano-(2-methylphenyl)methyl]-N-methylpyridine-3-carboxamide

C16H15N3O — CID 82122593

IUPACN-[cyano-(2-methylphenyl)methyl]-N-methylpyridine-3-carboxamide
SMILESCc1ccccc1C(C#N)N(C)C(=O)c1cccnc1
InChIInChI=1S/C16H15N3O/c1-12-6-3-4-8-14(12)15(10-17)19(2)16(20)13-7-5-9-18-11-13/h3-9,11,15H,1-2H3
InChIKeyMKUOVWJGYHXEFP-UHFFFAOYSA-N
MW265.32 g/mol
LogP2.73
Rot. Bonds3

About N-[cyano-(2-methylphenyl)methyl]-N-methylpyridine-3-carboxamide

N-[cyano-(2-methylphenyl)methyl]-N-methylpyridine-3-carboxamide (PubChem CID 82122593) has the molecular formula C16H15N3O and a molecular weight of 265.32 g/mol. Its IUPAC name is N-[cyano-(2-methylphenyl)methyl]-N-methylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-[cyano-(2-methylphenyl)methyl]-N-methylpyridine-3-carboxamide
PubChem CID82122593
Molecular FormulaC16H15N3O
Molecular Weight265.32 g/mol
Exact Mass265.12
IUPAC NameN-[cyano-(2-methylphenyl)methyl]-N-methylpyridine-3-carboxamide
SMILESCc1ccccc1C(C#N)N(C)C(=O)c1cccnc1
InChIInChI=1S/C16H15N3O/c1-12-6-3-4-8-14(12)15(10-17)19(2)16(20)13-7-5-9-18-11-13/h3-9,11,15H,1-2H3
InChIKeyMKUOVWJGYHXEFP-UHFFFAOYSA-N
XLogP2.73
TPSA56.99 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.32
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[cyano-(2-methylphenyl)methyl]-N-methylpyridine-3-carboxamide?
The IUPAC name of N-[cyano-(2-methylphenyl)methyl]-N-methylpyridine-3-carboxamide (CID 82122593) is N-[cyano-(2-methylphenyl)methyl]-N-methylpyridine-3-carboxamide.
What is the SMILES notation for N-[cyano-(2-methylphenyl)methyl]-N-methylpyridine-3-carboxamide?
The canonical SMILES for N-[cyano-(2-methylphenyl)methyl]-N-methylpyridine-3-carboxamide is Cc1ccccc1C(C#N)N(C)C(=O)c1cccnc1.
What is the InChIKey of N-[cyano-(2-methylphenyl)methyl]-N-methylpyridine-3-carboxamide?
The InChIKey is MKUOVWJGYHXEFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O/c1-12-6-3-4-8-14(12)15(10-17)19(2)16(20)13-7-5-9-18-11-13/h3-9,11,15H,1-2H3.
What are the key properties of N-[cyano-(2-methylphenyl)methyl]-N-methylpyridine-3-carboxamide?
N-[cyano-(2-methylphenyl)methyl]-N-methylpyridine-3-carboxamide has a molecular weight of 265.32 g/mol, XLogP of 2.73, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[cyano-(2-methylphenyl)methyl]-N-methylpyridine-3-carboxamide is sourced from PubChem (CID 82122593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).