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

C22H24N4O2 — CID 109157204

IUPAC6-[4-(dimethylamino)anilino]-N-[(2-methoxyphenyl)methyl]pyridine-3-carboxamide
SMILESCOc1ccccc1CNC(=O)c1ccc(Nc2ccc(N(C)C)cc2)nc1
InChIInChI=1S/C22H24N4O2/c1-26(2)19-11-9-18(10-12-19)25-21-13-8-17(15-23-21)22(27)24-14-16-6-4-5-7-20(16)28-3/h4-13,15H,14H2,1-3H3,(H,23,25)(H,24,27)
InChIKeyJAOPTDSOPAHIFH-UHFFFAOYSA-N
MW376.46 g/mol
LogP3.83
Rot. Bonds7

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

6-[4-(dimethylamino)anilino]-N-[(2-methoxyphenyl)methyl]pyridine-3-carboxamide (PubChem CID 109157204) has the molecular formula C22H24N4O2 and a molecular weight of 376.46 g/mol. Its IUPAC name is 6-[4-(dimethylamino)anilino]-N-[(2-methoxyphenyl)methyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-[4-(dimethylamino)anilino]-N-[(2-methoxyphenyl)methyl]pyridine-3-carboxamide
PubChem CID109157204
Molecular FormulaC22H24N4O2
Molecular Weight376.46 g/mol
Exact Mass376.19
IUPAC Name6-[4-(dimethylamino)anilino]-N-[(2-methoxyphenyl)methyl]pyridine-3-carboxamide
SMILESCOc1ccccc1CNC(=O)c1ccc(Nc2ccc(N(C)C)cc2)nc1
InChIInChI=1S/C22H24N4O2/c1-26(2)19-11-9-18(10-12-19)25-21-13-8-17(15-23-21)22(27)24-14-16-6-4-5-7-20(16)28-3/h4-13,15H,14H2,1-3H3,(H,23,25)(H,24,27)
InChIKeyJAOPTDSOPAHIFH-UHFFFAOYSA-N
XLogP3.83
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 53.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

6-(4-ethoxyanilino)-N-[(2-methoxyphenyl)methyl]pyridine-3-carboxamide
CID 109157190
N-[4-(dimethylamino)phenyl]-6-[(2-methoxyphenyl)methylamino]pyridine-3-carboxamide
CID 109157116
6-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-N-[(2-methoxyphenyl)methyl]pyridine-3-carboxamide
CID 109157207
6-[4-(dimethylamino)anilino]-N-(2-methoxyethyl)pyridine-3-carboxamide
CID 109153070
methyl 2-[[5-[(2-methoxyphenyl)methylcarbamoyl]-2-pyridinyl]amino]benzoate
CID 109157201
N-[2-(2-methoxyphenyl)ethyl]-6-(4-methylanilino)pyridine-3-carboxamide
CID 109158821
6-(2-cyanoanilino)-N-[(2-methoxyphenyl)methyl]pyridine-3-carboxamide
CID 109157211
N-(3,4-dimethoxyphenyl)-6-[4-(dimethylamino)anilino]pyridine-3-carboxamide
CID 109164382
6-[(2-fluorophenyl)methylamino]-N-[(2-methoxyphenyl)methyl]pyridine-3-carboxamide
CID 109156428
2-(4-fluoroanilino)-N-[(2-methoxyphenyl)methyl]pyrimidine-5-carboxamide
CID 109257829
6-(4-chloro-2-methylanilino)-N-[(2-methoxyphenyl)methyl]pyridine-3-carboxamide
CID 109157181
2-[4-(dimethylamino)anilino]-N-[2-(2-methoxyphenyl)ethyl]pyridine-4-carboxamide
CID 109172767

Frequently Asked Questions

What is the IUPAC name of 6-[4-(dimethylamino)anilino]-N-[(2-methoxyphenyl)methyl]pyridine-3-carboxamide?
The IUPAC name of 6-[4-(dimethylamino)anilino]-N-[(2-methoxyphenyl)methyl]pyridine-3-carboxamide (CID 109157204) is 6-[4-(dimethylamino)anilino]-N-[(2-methoxyphenyl)methyl]pyridine-3-carboxamide.
What is the SMILES notation for 6-[4-(dimethylamino)anilino]-N-[(2-methoxyphenyl)methyl]pyridine-3-carboxamide?
The canonical SMILES for 6-[4-(dimethylamino)anilino]-N-[(2-methoxyphenyl)methyl]pyridine-3-carboxamide is COc1ccccc1CNC(=O)c1ccc(Nc2ccc(N(C)C)cc2)nc1.
What is the InChIKey of 6-[4-(dimethylamino)anilino]-N-[(2-methoxyphenyl)methyl]pyridine-3-carboxamide?
The InChIKey is JAOPTDSOPAHIFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O2/c1-26(2)19-11-9-18(10-12-19)25-21-13-8-17(15-23-21)22(27)24-14-16-6-4-5-7-20(16)28-3/h4-13,15H,14H2,1-3H3,(H,23,25)(H,24,27).
What are the key properties of 6-[4-(dimethylamino)anilino]-N-[(2-methoxyphenyl)methyl]pyridine-3-carboxamide?
6-[4-(dimethylamino)anilino]-N-[(2-methoxyphenyl)methyl]pyridine-3-carboxamide has a molecular weight of 376.46 g/mol, XLogP of 3.83, 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-methoxyphenyl)methyl]pyridine-3-carboxamide is sourced from PubChem (CID 109157204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).