N-[4-(dimethylamino)phenyl]-5-[(2-methoxyphenyl)methylamino]pyridine-3-carboxamide

C22H24N4O2 — CID 109234351

IUPACN-[4-(dimethylamino)phenyl]-5-[(2-methoxyphenyl)methylamino]pyridine-3-carboxamide
SMILESCOc1ccccc1CNc1cncc(C(=O)Nc2ccc(N(C)C)cc2)c1
InChIInChI=1S/C22H24N4O2/c1-26(2)20-10-8-18(9-11-20)25-22(27)17-12-19(15-23-13-17)24-14-16-6-4-5-7-21(16)28-3/h4-13,15,24H,14H2,1-3H3,(H,25,27)
InChIKeyVQTANHOAJKTGDB-UHFFFAOYSA-N
MW376.46 g/mol
LogP4.02
Rot. Bonds7

About N-[4-(dimethylamino)phenyl]-5-[(2-methoxyphenyl)methylamino]pyridine-3-carboxamide

N-[4-(dimethylamino)phenyl]-5-[(2-methoxyphenyl)methylamino]pyridine-3-carboxamide (PubChem CID 109234351) has the molecular formula C22H24N4O2 and a molecular weight of 376.46 g/mol. Its IUPAC name is N-[4-(dimethylamino)phenyl]-5-[(2-methoxyphenyl)methylamino]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[4-(dimethylamino)phenyl]-5-[(2-methoxyphenyl)methylamino]pyridine-3-carboxamide
PubChem CID109234351
Molecular FormulaC22H24N4O2
Molecular Weight376.46 g/mol
Exact Mass376.19
IUPAC NameN-[4-(dimethylamino)phenyl]-5-[(2-methoxyphenyl)methylamino]pyridine-3-carboxamide
SMILESCOc1ccccc1CNc1cncc(C(=O)Nc2ccc(N(C)C)cc2)c1
InChIInChI=1S/C22H24N4O2/c1-26(2)20-10-8-18(9-11-20)25-22(27)17-12-19(15-23-13-17)24-14-16-6-4-5-7-21(16)28-3/h4-13,15,24H,14H2,1-3H3,(H,25,27)
InChIKeyVQTANHOAJKTGDB-UHFFFAOYSA-N
XLogP4.02
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 ≤ 54.02
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

N-(3-chloro-4-methoxyphenyl)-5-[(2-methoxyphenyl)methylamino]pyridine-3-carboxamide
CID 109234331
N-[4-(dimethylamino)phenyl]-6-[(2-methoxyphenyl)methylamino]pyridine-3-carboxamide
CID 109157116
N-[4-(dimethylamino)phenyl]-5-[2-(2-fluorophenyl)ethylamino]pyridine-3-carboxamide
CID 109236392
N-(2,5-dimethoxyphenyl)-5-[(2-methoxyphenyl)methylamino]pyridine-3-carboxamide
CID 109234341
N-[4-(dimethylamino)phenyl]-5-(2-methoxyethylamino)pyridine-3-carboxamide
CID 109227960
N-ethyl-5-[(2-methoxyphenyl)methylamino]-N-phenylpyridine-3-carboxamide
CID 109234311
5-[(2-methylphenyl)methylamino]-N-phenylpyridine-3-carboxamide
CID 109232130
N-[(2-methoxyphenyl)methyl]-5-(propylamino)pyridine-3-carboxamide
CID 109222992
5-N-[4-(dimethylamino)phenyl]-3-N-[(2-methylphenyl)methyl]pyridine-3,5-dicarboxamide
CID 109105155
5-[(4-fluorophenyl)methylamino]-N-[(2-methoxyphenyl)methyl]pyridine-3-carboxamide
CID 109233661
N-[4-(dimethylamino)phenyl]-5-(3-methylbutylamino)pyridine-3-carboxamide
CID 109239969
5-[(2-chlorophenyl)methylamino]-N-(3-methoxyphenyl)pyridine-3-carboxamide
CID 109233942

Frequently Asked Questions

What is the IUPAC name of N-[4-(dimethylamino)phenyl]-5-[(2-methoxyphenyl)methylamino]pyridine-3-carboxamide?
The IUPAC name of N-[4-(dimethylamino)phenyl]-5-[(2-methoxyphenyl)methylamino]pyridine-3-carboxamide (CID 109234351) is N-[4-(dimethylamino)phenyl]-5-[(2-methoxyphenyl)methylamino]pyridine-3-carboxamide.
What is the SMILES notation for N-[4-(dimethylamino)phenyl]-5-[(2-methoxyphenyl)methylamino]pyridine-3-carboxamide?
The canonical SMILES for N-[4-(dimethylamino)phenyl]-5-[(2-methoxyphenyl)methylamino]pyridine-3-carboxamide is COc1ccccc1CNc1cncc(C(=O)Nc2ccc(N(C)C)cc2)c1.
What is the InChIKey of N-[4-(dimethylamino)phenyl]-5-[(2-methoxyphenyl)methylamino]pyridine-3-carboxamide?
The InChIKey is VQTANHOAJKTGDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O2/c1-26(2)20-10-8-18(9-11-20)25-22(27)17-12-19(15-23-13-17)24-14-16-6-4-5-7-21(16)28-3/h4-13,15,24H,14H2,1-3H3,(H,25,27).
What are the key properties of N-[4-(dimethylamino)phenyl]-5-[(2-methoxyphenyl)methylamino]pyridine-3-carboxamide?
N-[4-(dimethylamino)phenyl]-5-[(2-methoxyphenyl)methylamino]pyridine-3-carboxamide has a molecular weight of 376.46 g/mol, XLogP of 4.02, 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]-5-[(2-methoxyphenyl)methylamino]pyridine-3-carboxamide is sourced from PubChem (CID 109234351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).