6-[4-(dimethylamino)anilino]-N-(2-methoxyethyl)pyridine-3-carboxamide

C17H22N4O2 — CID 109153070

IUPAC6-[4-(dimethylamino)anilino]-N-(2-methoxyethyl)pyridine-3-carboxamide
SMILESCOCCNC(=O)c1ccc(Nc2ccc(N(C)C)cc2)nc1
InChIInChI=1S/C17H22N4O2/c1-21(2)15-7-5-14(6-8-15)20-16-9-4-13(12-19-16)17(22)18-10-11-23-3/h4-9,12H,10-11H2,1-3H3,(H,18,22)(H,19,20)
InChIKeyDUGGUUFOYUZRGN-UHFFFAOYSA-N
MW314.39 g/mol
LogP2.27
Rot. Bonds7

About 6-[4-(dimethylamino)anilino]-N-(2-methoxyethyl)pyridine-3-carboxamide

6-[4-(dimethylamino)anilino]-N-(2-methoxyethyl)pyridine-3-carboxamide (PubChem CID 109153070) has the molecular formula C17H22N4O2 and a molecular weight of 314.39 g/mol. Its IUPAC name is 6-[4-(dimethylamino)anilino]-N-(2-methoxyethyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name6-[4-(dimethylamino)anilino]-N-(2-methoxyethyl)pyridine-3-carboxamide
PubChem CID109153070
Molecular FormulaC17H22N4O2
Molecular Weight314.39 g/mol
Exact Mass314.17
IUPAC Name6-[4-(dimethylamino)anilino]-N-(2-methoxyethyl)pyridine-3-carboxamide
SMILESCOCCNC(=O)c1ccc(Nc2ccc(N(C)C)cc2)nc1
InChIInChI=1S/C17H22N4O2/c1-21(2)15-7-5-14(6-8-15)20-16-9-4-13(12-19-16)17(22)18-10-11-23-3/h4-9,12H,10-11H2,1-3H3,(H,18,22)(H,19,20)
InChIKeyDUGGUUFOYUZRGN-UHFFFAOYSA-N
XLogP2.27
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(2-methoxyethyl)-6-(4-propan-2-ylanilino)pyridine-3-carboxamide
CID 109153038
methyl 4-[[6-[4-(dimethylamino)anilino]pyridine-3-carbonyl]amino]benzoate
CID 109164647
6-[4-(dimethylamino)anilino]-N-[(2-methoxyphenyl)methyl]pyridine-3-carboxamide
CID 109157204
6-[4-(dimethylamino)anilino]-N-(4-ethoxyphenyl)pyridine-3-carboxamide
CID 109164189
N-(3,4-dimethoxyphenyl)-6-[4-(dimethylamino)anilino]pyridine-3-carboxamide
CID 109164382
6-[4-chloro-3-(trifluoromethyl)anilino]-N-(2-methoxyethyl)pyridine-3-carboxamide
CID 109153089
2-[4-(diethylamino)anilino]-N-(2-methoxyethyl)pyrimidine-5-carboxamide
CID 109251441
N-[3-(dimethylamino)propyl]-6-(4-methylanilino)pyridine-3-carboxamide
CID 109154437
methyl 4-[[5-(3-methylbutylcarbamoyl)-2-pyridinyl]amino]benzoate
CID 109161262
6-(4-acetylanilino)-N-[3-(dimethylamino)propyl]pyridine-3-carboxamide
CID 109154486
6-[[(2R)-2-(dimethylamino)-2-phenylethyl]amino]-N-(2-methoxyethyl)pyridine-3-carboxamide
CID 96531055
6-[2,6-di(propan-2-yl)anilino]-N-(2-methoxyethyl)pyridine-3-carboxamide
CID 109153085

Frequently Asked Questions

What is the IUPAC name of 6-[4-(dimethylamino)anilino]-N-(2-methoxyethyl)pyridine-3-carboxamide?
The IUPAC name of 6-[4-(dimethylamino)anilino]-N-(2-methoxyethyl)pyridine-3-carboxamide (CID 109153070) is 6-[4-(dimethylamino)anilino]-N-(2-methoxyethyl)pyridine-3-carboxamide.
What is the SMILES notation for 6-[4-(dimethylamino)anilino]-N-(2-methoxyethyl)pyridine-3-carboxamide?
The canonical SMILES for 6-[4-(dimethylamino)anilino]-N-(2-methoxyethyl)pyridine-3-carboxamide is COCCNC(=O)c1ccc(Nc2ccc(N(C)C)cc2)nc1.
What is the InChIKey of 6-[4-(dimethylamino)anilino]-N-(2-methoxyethyl)pyridine-3-carboxamide?
The InChIKey is DUGGUUFOYUZRGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O2/c1-21(2)15-7-5-14(6-8-15)20-16-9-4-13(12-19-16)17(22)18-10-11-23-3/h4-9,12H,10-11H2,1-3H3,(H,18,22)(H,19,20).
What are the key properties of 6-[4-(dimethylamino)anilino]-N-(2-methoxyethyl)pyridine-3-carboxamide?
6-[4-(dimethylamino)anilino]-N-(2-methoxyethyl)pyridine-3-carboxamide has a molecular weight of 314.39 g/mol, XLogP of 2.27, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(dimethylamino)anilino]-N-(2-methoxyethyl)pyridine-3-carboxamide is sourced from PubChem (CID 109153070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).