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

C16H19N3O — CID 112722856

IUPACN-methyl-4-[2-(2-methylphenyl)ethylamino]pyridine-2-carboxamide
SMILESCNC(=O)c1cc(NCCc2ccccc2C)ccn1
InChIInChI=1S/C16H19N3O/c1-12-5-3-4-6-13(12)7-9-18-14-8-10-19-15(11-14)16(20)17-2/h3-6,8,10-11H,7,9H2,1-2H3,(H,17,20)(H,18,19)
InChIKeyXTUIGAGWWHPUGI-UHFFFAOYSA-N
MW269.35 g/mol
LogP2.40
Rot. Bonds5

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

N-methyl-4-[2-(2-methylphenyl)ethylamino]pyridine-2-carboxamide (PubChem CID 112722856) has the molecular formula C16H19N3O and a molecular weight of 269.35 g/mol. Its IUPAC name is N-methyl-4-[2-(2-methylphenyl)ethylamino]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-methyl-4-[2-(2-methylphenyl)ethylamino]pyridine-2-carboxamide
PubChem CID112722856
Molecular FormulaC16H19N3O
Molecular Weight269.35 g/mol
Exact Mass269.15
IUPAC NameN-methyl-4-[2-(2-methylphenyl)ethylamino]pyridine-2-carboxamide
SMILESCNC(=O)c1cc(NCCc2ccccc2C)ccn1
InChIInChI=1S/C16H19N3O/c1-12-5-3-4-6-13(12)7-9-18-14-8-10-19-15(11-14)16(20)17-2/h3-6,8,10-11H,7,9H2,1-2H3,(H,17,20)(H,18,19)
InChIKeyXTUIGAGWWHPUGI-UHFFFAOYSA-N
XLogP2.40
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(2-hydroxyphenyl)methylamino]-N-methylpyridine-2-carboxamide
CID 114332705
4-[(2-ethylphenyl)methylamino]-N-methylpyridine-2-carboxamide
CID 64695920
4-[3-(dimethylamino)propylamino]-N-[(2-methylphenyl)methyl]pyridine-2-carboxamide
CID 109207893
2-chloro-N-[2-(2-methylphenyl)ethyl]pyridin-4-amine
CID 102824301
N-[3-(dimethylamino)propyl]-4-[2-(2-fluorophenyl)ethylamino]pyridine-2-carboxamide
CID 109207743
N-(2-methoxyethyl)-4-[(2-methylphenyl)methylamino]pyridine-2-carboxamide
CID 109205668
N-methyl-4-[2-(propylamino)ethylamino]pyridine-2-carboxamide
CID 62665007
N-(2,6-difluorophenyl)-4-[2-(2-fluorophenyl)ethylamino]pyridine-2-carboxamide
CID 109214096
4-(2-ethoxyethylamino)-N-methylpyridine-2-carboxamide
CID 43591225
4-[2-(4-chlorophenyl)ethylamino]-N-(2-methylphenyl)pyridine-2-carboxamide
CID 109215473
4-[[3-(diethylamino)-3-oxopropyl]amino]-N-methylpyridine-2-carboxamide
CID 60926875
N-[(2-methylphenyl)methyl]-4-[(4-methylphenyl)methylamino]pyridine-2-carboxamide
CID 109209919

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-[2-(2-methylphenyl)ethylamino]pyridine-2-carboxamide?
The IUPAC name of N-methyl-4-[2-(2-methylphenyl)ethylamino]pyridine-2-carboxamide (CID 112722856) is N-methyl-4-[2-(2-methylphenyl)ethylamino]pyridine-2-carboxamide.
What is the SMILES notation for N-methyl-4-[2-(2-methylphenyl)ethylamino]pyridine-2-carboxamide?
The canonical SMILES for N-methyl-4-[2-(2-methylphenyl)ethylamino]pyridine-2-carboxamide is CNC(=O)c1cc(NCCc2ccccc2C)ccn1.
What is the InChIKey of N-methyl-4-[2-(2-methylphenyl)ethylamino]pyridine-2-carboxamide?
The InChIKey is XTUIGAGWWHPUGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O/c1-12-5-3-4-6-13(12)7-9-18-14-8-10-19-15(11-14)16(20)17-2/h3-6,8,10-11H,7,9H2,1-2H3,(H,17,20)(H,18,19).
What are the key properties of N-methyl-4-[2-(2-methylphenyl)ethylamino]pyridine-2-carboxamide?
N-methyl-4-[2-(2-methylphenyl)ethylamino]pyridine-2-carboxamide has a molecular weight of 269.35 g/mol, XLogP of 2.40, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-[2-(2-methylphenyl)ethylamino]pyridine-2-carboxamide is sourced from PubChem (CID 112722856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).