N-(3,5-dimethylphenyl)-5-(2-methoxyethylamino)pyridine-2-carboxamide

C17H21N3O2 — CID 109184098

IUPACN-(3,5-dimethylphenyl)-5-(2-methoxyethylamino)pyridine-2-carboxamide
SMILESCOCCNc1ccc(C(=O)Nc2cc(C)cc(C)c2)nc1
InChIInChI=1S/C17H21N3O2/c1-12-8-13(2)10-15(9-12)20-17(21)16-5-4-14(11-19-16)18-6-7-22-3/h4-5,8-11,18H,6-7H2,1-3H3,(H,20,21)
InChIKeyYNUKWMUJCBYBPN-UHFFFAOYSA-N
MW299.37 g/mol
LogP3.01
Rot. Bonds6

About N-(3,5-dimethylphenyl)-5-(2-methoxyethylamino)pyridine-2-carboxamide

N-(3,5-dimethylphenyl)-5-(2-methoxyethylamino)pyridine-2-carboxamide (PubChem CID 109184098) has the molecular formula C17H21N3O2 and a molecular weight of 299.37 g/mol. Its IUPAC name is N-(3,5-dimethylphenyl)-5-(2-methoxyethylamino)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(3,5-dimethylphenyl)-5-(2-methoxyethylamino)pyridine-2-carboxamide
PubChem CID109184098
Molecular FormulaC17H21N3O2
Molecular Weight299.37 g/mol
Exact Mass299.16
IUPAC NameN-(3,5-dimethylphenyl)-5-(2-methoxyethylamino)pyridine-2-carboxamide
SMILESCOCCNc1ccc(C(=O)Nc2cc(C)cc(C)c2)nc1
InChIInChI=1S/C17H21N3O2/c1-12-8-13(2)10-15(9-12)20-17(21)16-5-4-14(11-19-16)18-6-7-22-3/h4-5,8-11,18H,6-7H2,1-3H3,(H,20,21)
InChIKeyYNUKWMUJCBYBPN-UHFFFAOYSA-N
XLogP3.01
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 53.01
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

5-[2-(dimethylamino)ethylamino]-N-(3,5-dimethylphenyl)pyridine-2-carboxamide
CID 109185542
N-(3,5-dimethylphenyl)-5-(pentylamino)pyridine-2-carboxamide
CID 109195837
N-[4-(dimethylamino)phenyl]-5-(2-methoxyethylamino)pyridine-2-carboxamide
CID 109184150
5-(2-methoxyethylamino)-N-(4-phenoxyphenyl)pyridine-2-carboxamide
CID 109184158
N-(3,5-dimethylphenyl)-5-(4-methoxyanilino)pyridine-2-carboxamide
CID 109198157
N-(3,5-dimethylphenyl)-5-(pyridin-4-ylmethylamino)pyridine-2-carboxamide
CID 109191648
methyl 4-[[6-[(3,5-dimethylphenyl)carbamoyl]-3-pyridinyl]amino]benzoate
CID 109198170
ethyl 2-[[5-(2-methoxyethylamino)pyridine-2-carbonyl]amino]benzoate
CID 109184186
N-(4-bromo-2-methylphenyl)-5-(3-methoxypropylamino)pyridine-2-carboxamide
CID 109184527
N-(3-methoxypropyl)-5-(3-methoxypropylamino)pyridine-2-carboxamide
CID 109184195
N-(2-methoxyethyl)-5-(4-methylanilino)pyridine-2-carboxamide
CID 109183906
5-(cyclopentylamino)-N-(3,5-dimethylphenyl)pyridine-2-carboxamide
CID 109182436

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethylphenyl)-5-(2-methoxyethylamino)pyridine-2-carboxamide?
The IUPAC name of N-(3,5-dimethylphenyl)-5-(2-methoxyethylamino)pyridine-2-carboxamide (CID 109184098) is N-(3,5-dimethylphenyl)-5-(2-methoxyethylamino)pyridine-2-carboxamide.
What is the SMILES notation for N-(3,5-dimethylphenyl)-5-(2-methoxyethylamino)pyridine-2-carboxamide?
The canonical SMILES for N-(3,5-dimethylphenyl)-5-(2-methoxyethylamino)pyridine-2-carboxamide is COCCNc1ccc(C(=O)Nc2cc(C)cc(C)c2)nc1.
What is the InChIKey of N-(3,5-dimethylphenyl)-5-(2-methoxyethylamino)pyridine-2-carboxamide?
The InChIKey is YNUKWMUJCBYBPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O2/c1-12-8-13(2)10-15(9-12)20-17(21)16-5-4-14(11-19-16)18-6-7-22-3/h4-5,8-11,18H,6-7H2,1-3H3,(H,20,21).
What are the key properties of N-(3,5-dimethylphenyl)-5-(2-methoxyethylamino)pyridine-2-carboxamide?
N-(3,5-dimethylphenyl)-5-(2-methoxyethylamino)pyridine-2-carboxamide has a molecular weight of 299.37 g/mol, XLogP of 3.01, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethylphenyl)-5-(2-methoxyethylamino)pyridine-2-carboxamide is sourced from PubChem (CID 109184098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).