N-[(3,4-dimethoxyphenyl)methyl]-5-[(2-methylphenyl)methylamino]pyridine-3-carboxamide

C23H25N3O3 — CID 109232108

IUPACN-[(3,4-dimethoxyphenyl)methyl]-5-[(2-methylphenyl)methylamino]pyridine-3-carboxamide
SMILESCOc1ccc(CNC(=O)c2cncc(NCc3ccccc3C)c2)cc1OC
InChIInChI=1S/C23H25N3O3/c1-16-6-4-5-7-18(16)14-25-20-11-19(13-24-15-20)23(27)26-12-17-8-9-21(28-2)22(10-17)29-3/h4-11,13,15,25H,12,14H2,1-3H3,(H,26,27)
InChIKeyDRAANDJGFAGXNB-UHFFFAOYSA-N
MW391.47 g/mol
LogP3.95
Rot. Bonds8

About N-[(3,4-dimethoxyphenyl)methyl]-5-[(2-methylphenyl)methylamino]pyridine-3-carboxamide

N-[(3,4-dimethoxyphenyl)methyl]-5-[(2-methylphenyl)methylamino]pyridine-3-carboxamide (PubChem CID 109232108) has the molecular formula C23H25N3O3 and a molecular weight of 391.47 g/mol. Its IUPAC name is N-[(3,4-dimethoxyphenyl)methyl]-5-[(2-methylphenyl)methylamino]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(3,4-dimethoxyphenyl)methyl]-5-[(2-methylphenyl)methylamino]pyridine-3-carboxamide
PubChem CID109232108
Molecular FormulaC23H25N3O3
Molecular Weight391.47 g/mol
Exact Mass391.19
IUPAC NameN-[(3,4-dimethoxyphenyl)methyl]-5-[(2-methylphenyl)methylamino]pyridine-3-carboxamide
SMILESCOc1ccc(CNC(=O)c2cncc(NCc3ccccc3C)c2)cc1OC
InChIInChI=1S/C23H25N3O3/c1-16-6-4-5-7-18(16)14-25-20-11-19(13-24-15-20)23(27)26-12-17-8-9-21(28-2)22(10-17)29-3/h4-11,13,15,25H,12,14H2,1-3H3,(H,26,27)
InChIKeyDRAANDJGFAGXNB-UHFFFAOYSA-N
XLogP3.95
TPSA72.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.47
LogP ≤ 53.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(3,4-dimethoxyphenyl)methyl]-5-[(2-methylphenyl)methylamino]pyridine-2-carboxamide
CID 109188273
N-(2,5-dimethoxyphenyl)-5-[(2-methylphenyl)methylamino]pyridine-3-carboxamide
CID 109232174
5-[(3,4-dimethoxyphenyl)methylamino]-N-(3,4-dimethylphenyl)pyridine-3-carboxamide
CID 109237942
N-[(3,4-dimethoxyphenyl)methyl]-5-(4-ethylanilino)pyridine-3-carboxamide
CID 109237906
N-[2-(3-methoxyphenyl)ethyl]-5-[(2-methylphenyl)methylamino]pyridine-3-carboxamide
CID 109232100
N-[(3,4-dimethoxyphenyl)methyl]-5-(3-methoxyanilino)pyridine-3-carboxamide
CID 109237914
5-[(4-fluorophenyl)methylamino]-N-[(2-methoxyphenyl)methyl]pyridine-3-carboxamide
CID 109233661
N-[(3,4-dimethoxyphenyl)methyl]-5-hydroxypyridine-3-carboxamide
CID 63866016
5-[(2-methylphenyl)methylamino]-N-phenylpyridine-3-carboxamide
CID 109232130
N-tert-butyl-5-[(2-methylphenyl)methylamino]pyridine-3-carboxamide
CID 109232118
N-(4-ethylphenyl)-5-[(2-methylphenyl)methylamino]pyridine-3-carboxamide
CID 109232144
5-(3,4-difluoroanilino)-N-[(3,4-dimethoxyphenyl)methyl]pyridine-3-carboxamide
CID 109237922

Frequently Asked Questions

What is the IUPAC name of N-[(3,4-dimethoxyphenyl)methyl]-5-[(2-methylphenyl)methylamino]pyridine-3-carboxamide?
The IUPAC name of N-[(3,4-dimethoxyphenyl)methyl]-5-[(2-methylphenyl)methylamino]pyridine-3-carboxamide (CID 109232108) is N-[(3,4-dimethoxyphenyl)methyl]-5-[(2-methylphenyl)methylamino]pyridine-3-carboxamide.
What is the SMILES notation for N-[(3,4-dimethoxyphenyl)methyl]-5-[(2-methylphenyl)methylamino]pyridine-3-carboxamide?
The canonical SMILES for N-[(3,4-dimethoxyphenyl)methyl]-5-[(2-methylphenyl)methylamino]pyridine-3-carboxamide is COc1ccc(CNC(=O)c2cncc(NCc3ccccc3C)c2)cc1OC.
What is the InChIKey of N-[(3,4-dimethoxyphenyl)methyl]-5-[(2-methylphenyl)methylamino]pyridine-3-carboxamide?
The InChIKey is DRAANDJGFAGXNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O3/c1-16-6-4-5-7-18(16)14-25-20-11-19(13-24-15-20)23(27)26-12-17-8-9-21(28-2)22(10-17)29-3/h4-11,13,15,25H,12,14H2,1-3H3,(H,26,27).
What are the key properties of N-[(3,4-dimethoxyphenyl)methyl]-5-[(2-methylphenyl)methylamino]pyridine-3-carboxamide?
N-[(3,4-dimethoxyphenyl)methyl]-5-[(2-methylphenyl)methylamino]pyridine-3-carboxamide has a molecular weight of 391.47 g/mol, XLogP of 3.95, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-dimethoxyphenyl)methyl]-5-[(2-methylphenyl)methylamino]pyridine-3-carboxamide is sourced from PubChem (CID 109232108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).