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

C16H15N3O — CID 115115729

IUPAC4-cyano-N-methyl-N-[(2-methylphenyl)methyl]pyridine-3-carboxamide
SMILESCc1ccccc1CN(C)C(=O)c1cnccc1C#N
InChIInChI=1S/C16H15N3O/c1-12-5-3-4-6-14(12)11-19(2)16(20)15-10-18-8-7-13(15)9-17/h3-8,10H,11H2,1-2H3
InChIKeyRDPRTDMCNRTTMQ-UHFFFAOYSA-N
MW265.32 g/mol
LogP2.53
Rot. Bonds3

About 4-cyano-N-methyl-N-[(2-methylphenyl)methyl]pyridine-3-carboxamide

4-cyano-N-methyl-N-[(2-methylphenyl)methyl]pyridine-3-carboxamide (PubChem CID 115115729) has the molecular formula C16H15N3O and a molecular weight of 265.32 g/mol. Its IUPAC name is 4-cyano-N-methyl-N-[(2-methylphenyl)methyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name4-cyano-N-methyl-N-[(2-methylphenyl)methyl]pyridine-3-carboxamide
PubChem CID115115729
Molecular FormulaC16H15N3O
Molecular Weight265.32 g/mol
Exact Mass265.12
IUPAC Name4-cyano-N-methyl-N-[(2-methylphenyl)methyl]pyridine-3-carboxamide
SMILESCc1ccccc1CN(C)C(=O)c1cnccc1C#N
InChIInChI=1S/C16H15N3O/c1-12-5-3-4-6-14(12)11-19(2)16(20)15-10-18-8-7-13(15)9-17/h3-8,10H,11H2,1-2H3
InChIKeyRDPRTDMCNRTTMQ-UHFFFAOYSA-N
XLogP2.53
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 ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-3-(methylamino)-N-[(2-methylphenyl)methyl]pyridine-4-carboxamide
CID 105069435
4-cyano-N-[(3-fluorophenyl)methyl]-N-methylpyridine-3-carboxamide
CID 115115732
2-cyano-N-methyl-N-[(2-methylphenyl)methyl]pyridine-4-carboxamide
CID 115115897
4-chloro-N-[(2-fluorophenyl)methyl]-N-methylpyridine-3-carboxamide
CID 81226236
4-cyano-N-methyl-N-(4-methylphenyl)pyridine-3-carboxamide
CID 115115651
N-methyl-N-[(2-methylphenyl)methyl]-4-nitrobenzamide
CID 27827757
N-[(3-cyanophenyl)methyl]-N-methyl-4-(methylamino)pyridine-3-carboxamide
CID 81238313
4-chloro-N-[(2-ethoxyphenyl)methyl]-N-methylpyridine-3-carboxamide
CID 81230248
4-hydroxy-N-methyl-N-[(2-methylphenyl)methyl]benzamide
CID 60631099
6-chloro-N-methyl-N-[(2-methylphenyl)methyl]pyridine-3-carboxamide
CID 60631168
N,2,4-trimethyl-N-[(2-methylphenyl)methyl]benzamide
CID 134028537
N-(3-bromophenyl)-4-cyano-N-methylpyridine-3-carboxamide
CID 115115670

Frequently Asked Questions

What is the IUPAC name of 4-cyano-N-methyl-N-[(2-methylphenyl)methyl]pyridine-3-carboxamide?
The IUPAC name of 4-cyano-N-methyl-N-[(2-methylphenyl)methyl]pyridine-3-carboxamide (CID 115115729) is 4-cyano-N-methyl-N-[(2-methylphenyl)methyl]pyridine-3-carboxamide.
What is the SMILES notation for 4-cyano-N-methyl-N-[(2-methylphenyl)methyl]pyridine-3-carboxamide?
The canonical SMILES for 4-cyano-N-methyl-N-[(2-methylphenyl)methyl]pyridine-3-carboxamide is Cc1ccccc1CN(C)C(=O)c1cnccc1C#N.
What is the InChIKey of 4-cyano-N-methyl-N-[(2-methylphenyl)methyl]pyridine-3-carboxamide?
The InChIKey is RDPRTDMCNRTTMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O/c1-12-5-3-4-6-14(12)11-19(2)16(20)15-10-18-8-7-13(15)9-17/h3-8,10H,11H2,1-2H3.
What are the key properties of 4-cyano-N-methyl-N-[(2-methylphenyl)methyl]pyridine-3-carboxamide?
4-cyano-N-methyl-N-[(2-methylphenyl)methyl]pyridine-3-carboxamide has a molecular weight of 265.32 g/mol, XLogP of 2.53, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyano-N-methyl-N-[(2-methylphenyl)methyl]pyridine-3-carboxamide is sourced from PubChem (CID 115115729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).