N-[4-(dimethylamino)phenyl]-2-(2-methoxyethylamino)pyridine-4-carboxamide

C17H22N4O2 — CID 109166952

IUPACN-[4-(dimethylamino)phenyl]-2-(2-methoxyethylamino)pyridine-4-carboxamide
SMILESCOCCNc1cc(C(=O)Nc2ccc(N(C)C)cc2)ccn1
InChIInChI=1S/C17H22N4O2/c1-21(2)15-6-4-14(5-7-15)20-17(22)13-8-9-18-16(12-13)19-10-11-23-3/h4-9,12H,10-11H2,1-3H3,(H,18,19)(H,20,22)
InChIKeyYOPDSSJURXNGTL-UHFFFAOYSA-N
MW314.39 g/mol
LogP2.46
Rot. Bonds7

About N-[4-(dimethylamino)phenyl]-2-(2-methoxyethylamino)pyridine-4-carboxamide

N-[4-(dimethylamino)phenyl]-2-(2-methoxyethylamino)pyridine-4-carboxamide (PubChem CID 109166952) has the molecular formula C17H22N4O2 and a molecular weight of 314.39 g/mol. Its IUPAC name is N-[4-(dimethylamino)phenyl]-2-(2-methoxyethylamino)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[4-(dimethylamino)phenyl]-2-(2-methoxyethylamino)pyridine-4-carboxamide
PubChem CID109166952
Molecular FormulaC17H22N4O2
Molecular Weight314.39 g/mol
Exact Mass314.17
IUPAC NameN-[4-(dimethylamino)phenyl]-2-(2-methoxyethylamino)pyridine-4-carboxamide
SMILESCOCCNc1cc(C(=O)Nc2ccc(N(C)C)cc2)ccn1
InChIInChI=1S/C17H22N4O2/c1-21(2)15-6-4-14(5-7-15)20-17(22)13-8-9-18-16(12-13)19-10-11-23-3/h4-9,12H,10-11H2,1-3H3,(H,18,19)(H,20,22)
InChIKeyYOPDSSJURXNGTL-UHFFFAOYSA-N
XLogP2.46
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 ≤ 52.46
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'}

Analyze N-[4-(dimethylamino)phenyl]-2-(2-methoxyethylamino)pyridine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[4-(dimethylamino)phenyl]-2-(ethylamino)pyridine-4-carboxamide
CID 62168755
2-(2-methoxyethylamino)-N-(4-piperidin-1-ylphenyl)pyridine-4-carboxamide
CID 109166955
N-(4-acetylphenyl)-2-(3-methoxypropylamino)pyridine-4-carboxamide
CID 109167267
2-[2-(3-chlorophenyl)ethylamino]-N-[4-(dimethylamino)phenyl]pyridine-4-carboxamide
CID 109176002
N-[4-(dimethylamino)phenyl]-5-(2-methoxyethylamino)pyridine-3-carboxamide
CID 109227960
2-(3-methoxypropylamino)-N-(4-propan-2-ylphenyl)pyridine-4-carboxamide
CID 109167231
N-[4-(dimethylamino)phenyl]-5-(2-methoxyethylamino)pyridine-2-carboxamide
CID 109184150
N-(4-fluorophenyl)-2-[2-(4-methoxyphenoxy)ethylamino]pyridine-4-carboxamide
CID 109174963
N-(2,6-diethylphenyl)-2-(2-methoxyethylamino)pyridine-4-carboxamide
CID 109166921
N-(4-acetamidophenyl)-2-[3-(dimethylamino)propylamino]pyridine-4-carboxamide
CID 109168419
N-(3,4-difluorophenyl)-2-(3-methoxypropylamino)pyridine-4-carboxamide
CID 109167317
2-[4-(dimethylamino)anilino]-N-(4-propan-2-yloxyphenyl)pyridine-4-carboxamide
CID 109178298

Frequently Asked Questions

What is the IUPAC name of N-[4-(dimethylamino)phenyl]-2-(2-methoxyethylamino)pyridine-4-carboxamide?
The IUPAC name of N-[4-(dimethylamino)phenyl]-2-(2-methoxyethylamino)pyridine-4-carboxamide (CID 109166952) is N-[4-(dimethylamino)phenyl]-2-(2-methoxyethylamino)pyridine-4-carboxamide.
What is the SMILES notation for N-[4-(dimethylamino)phenyl]-2-(2-methoxyethylamino)pyridine-4-carboxamide?
The canonical SMILES for N-[4-(dimethylamino)phenyl]-2-(2-methoxyethylamino)pyridine-4-carboxamide is COCCNc1cc(C(=O)Nc2ccc(N(C)C)cc2)ccn1.
What is the InChIKey of N-[4-(dimethylamino)phenyl]-2-(2-methoxyethylamino)pyridine-4-carboxamide?
The InChIKey is YOPDSSJURXNGTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O2/c1-21(2)15-6-4-14(5-7-15)20-17(22)13-8-9-18-16(12-13)19-10-11-23-3/h4-9,12H,10-11H2,1-3H3,(H,18,19)(H,20,22).
What are the key properties of N-[4-(dimethylamino)phenyl]-2-(2-methoxyethylamino)pyridine-4-carboxamide?
N-[4-(dimethylamino)phenyl]-2-(2-methoxyethylamino)pyridine-4-carboxamide has a molecular weight of 314.39 g/mol, XLogP of 2.46, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(dimethylamino)phenyl]-2-(2-methoxyethylamino)pyridine-4-carboxamide is sourced from PubChem (CID 109166952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).