N-(2-methoxyethyl)-4-[(2-methylphenyl)methylamino]pyridine-2-carboxamide

C17H21N3O2 — CID 109205668

IUPACN-(2-methoxyethyl)-4-[(2-methylphenyl)methylamino]pyridine-2-carboxamide
SMILESCOCCNC(=O)c1cc(NCc2ccccc2C)ccn1
InChIInChI=1S/C17H21N3O2/c1-13-5-3-4-6-14(13)12-20-15-7-8-18-16(11-15)17(21)19-9-10-22-2/h3-8,11H,9-10,12H2,1-2H3,(H,18,20)(H,19,21)
InChIKeyFQTLUDOJIBHOEB-UHFFFAOYSA-N
MW299.37 g/mol
LogP2.38
Rot. Bonds7

About N-(2-methoxyethyl)-4-[(2-methylphenyl)methylamino]pyridine-2-carboxamide

N-(2-methoxyethyl)-4-[(2-methylphenyl)methylamino]pyridine-2-carboxamide (PubChem CID 109205668) has the molecular formula C17H21N3O2 and a molecular weight of 299.37 g/mol. Its IUPAC name is N-(2-methoxyethyl)-4-[(2-methylphenyl)methylamino]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-4-[(2-methylphenyl)methylamino]pyridine-2-carboxamide
PubChem CID109205668
Molecular FormulaC17H21N3O2
Molecular Weight299.37 g/mol
Exact Mass299.16
IUPAC NameN-(2-methoxyethyl)-4-[(2-methylphenyl)methylamino]pyridine-2-carboxamide
SMILESCOCCNC(=O)c1cc(NCc2ccccc2C)ccn1
InChIInChI=1S/C17H21N3O2/c1-13-5-3-4-6-14(13)12-20-15-7-8-18-16(11-15)17(21)19-9-10-22-2/h3-8,11H,9-10,12H2,1-2H3,(H,18,20)(H,19,21)
InChIKeyFQTLUDOJIBHOEB-UHFFFAOYSA-N
XLogP2.38
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-[(2-fluorophenyl)methylamino]-N-(2-methoxyethyl)pyridine-2-carboxamide
CID 109205673
N-[2-(4-methoxyphenyl)ethyl]-4-[(2-methylphenyl)methylamino]pyridine-2-carboxamide
CID 109210055
N-[(2-methylphenyl)methyl]-4-[(4-methylphenyl)methylamino]pyridine-2-carboxamide
CID 109209919
methyl 4-[[4-[(2-methylphenyl)methylamino]pyridine-2-carbonyl]amino]benzoate
CID 109210134
N-(2-methoxyethyl)-4-(2-methylpropylamino)pyridine-2-carboxamide
CID 109203048
4-[3-(dimethylamino)propylamino]-N-[(2-methylphenyl)methyl]pyridine-2-carboxamide
CID 109207893
2-N-(3-methoxypropyl)-4-N-[(2-methylphenyl)methyl]pyridine-2,4-dicarboxamide
CID 109082650
N-(3-methoxypropyl)-5-[(2-methylphenyl)methylamino]pyridine-2-carboxamide
CID 109184207
4-(3,4-dimethylanilino)-N-[(2-methylphenyl)methyl]pyridine-2-carboxamide
CID 109209976
N-(2-bromophenyl)-4-[(2-methylphenyl)methylamino]pyridine-2-carboxamide
CID 109210139
N-(3-methoxypropyl)-4-(pyridin-2-ylmethylamino)pyridine-2-carboxamide
CID 109206050
N-(2-ethoxyphenyl)-4-[(2-methylphenyl)methylamino]pyridine-2-carboxamide
CID 109210117

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-4-[(2-methylphenyl)methylamino]pyridine-2-carboxamide?
The IUPAC name of N-(2-methoxyethyl)-4-[(2-methylphenyl)methylamino]pyridine-2-carboxamide (CID 109205668) is N-(2-methoxyethyl)-4-[(2-methylphenyl)methylamino]pyridine-2-carboxamide.
What is the SMILES notation for N-(2-methoxyethyl)-4-[(2-methylphenyl)methylamino]pyridine-2-carboxamide?
The canonical SMILES for N-(2-methoxyethyl)-4-[(2-methylphenyl)methylamino]pyridine-2-carboxamide is COCCNC(=O)c1cc(NCc2ccccc2C)ccn1.
What is the InChIKey of N-(2-methoxyethyl)-4-[(2-methylphenyl)methylamino]pyridine-2-carboxamide?
The InChIKey is FQTLUDOJIBHOEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O2/c1-13-5-3-4-6-14(13)12-20-15-7-8-18-16(11-15)17(21)19-9-10-22-2/h3-8,11H,9-10,12H2,1-2H3,(H,18,20)(H,19,21).
What are the key properties of N-(2-methoxyethyl)-4-[(2-methylphenyl)methylamino]pyridine-2-carboxamide?
N-(2-methoxyethyl)-4-[(2-methylphenyl)methylamino]pyridine-2-carboxamide has a molecular weight of 299.37 g/mol, XLogP of 2.38, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-4-[(2-methylphenyl)methylamino]pyridine-2-carboxamide is sourced from PubChem (CID 109205668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).