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

C23H25N3O3 — CID 109188273

IUPACN-[(3,4-dimethoxyphenyl)methyl]-5-[(2-methylphenyl)methylamino]pyridine-2-carboxamide
SMILESCOc1ccc(CNC(=O)c2ccc(NCc3ccccc3C)cn2)cc1OC
InChIInChI=1S/C23H25N3O3/c1-16-6-4-5-7-18(16)14-24-19-9-10-20(25-15-19)23(27)26-13-17-8-11-21(28-2)22(12-17)29-3/h4-12,15,24H,13-14H2,1-3H3,(H,26,27)
InChIKeyKHRLBKSQVILZLD-UHFFFAOYSA-N
MW391.47 g/mol
LogP3.95
Rot. Bonds8

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

N-[(3,4-dimethoxyphenyl)methyl]-5-[(2-methylphenyl)methylamino]pyridine-2-carboxamide (PubChem CID 109188273) 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-2-carboxamide.

Molecular Properties

Compound NameN-[(3,4-dimethoxyphenyl)methyl]-5-[(2-methylphenyl)methylamino]pyridine-2-carboxamide
PubChem CID109188273
Molecular FormulaC23H25N3O3
Molecular Weight391.47 g/mol
Exact Mass391.19
IUPAC NameN-[(3,4-dimethoxyphenyl)methyl]-5-[(2-methylphenyl)methylamino]pyridine-2-carboxamide
SMILESCOc1ccc(CNC(=O)c2ccc(NCc3ccccc3C)cn2)cc1OC
InChIInChI=1S/C23H25N3O3/c1-16-6-4-5-7-18(16)14-24-19-9-10-20(25-15-19)23(27)26-13-17-8-11-21(28-2)22(12-17)29-3/h4-12,15,24H,13-14H2,1-3H3,(H,26,27)
InChIKeyKHRLBKSQVILZLD-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-fluorophenyl)methylamino]pyridine-2-carboxamide
CID 109189485
N-[(3,4-dimethoxyphenyl)methyl]-5-[(2-methylphenyl)methylamino]pyridine-3-carboxamide
CID 109232108
5-[(3,4-dimethoxyphenyl)methylamino]-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide
CID 109191185
5-[(2-methoxyphenyl)methylamino]-N-(pyridin-4-ylmethyl)pyridine-2-carboxamide
CID 109190258
N-[(3,4-dimethoxyphenyl)methyl]-5-phenylpyridine-2-carboxamide
CID 110683588
5-(cyclopropylamino)-N-[(3,4-dimethoxyphenyl)methyl]pyridine-2-carboxamide
CID 109180086
N-(3-methoxypropyl)-5-[(2-methylphenyl)methylamino]pyridine-2-carboxamide
CID 109184207
N-[6-[(3,4-dimethoxyphenyl)methylamino]-3-pyridinyl]-2-(2-methylphenyl)acetamide
CID 113014017
5-(2,6-difluoroanilino)-N-[(3,4-dimethoxyphenyl)methyl]pyridine-2-carboxamide
CID 109193759
N-[2-(3-methoxyphenyl)ethyl]-5-[(2-methylphenyl)methylamino]pyridine-2-carboxamide
CID 109188265
5-[(2-methoxyphenyl)methylamino]-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide
CID 109190257
5-(2,4-dimethoxyanilino)-N-[(2-methylphenyl)methyl]pyridine-2-carboxamide
CID 109188212

Frequently Asked Questions

What is the IUPAC name of N-[(3,4-dimethoxyphenyl)methyl]-5-[(2-methylphenyl)methylamino]pyridine-2-carboxamide?
The IUPAC name of N-[(3,4-dimethoxyphenyl)methyl]-5-[(2-methylphenyl)methylamino]pyridine-2-carboxamide (CID 109188273) is N-[(3,4-dimethoxyphenyl)methyl]-5-[(2-methylphenyl)methylamino]pyridine-2-carboxamide.
What is the SMILES notation for N-[(3,4-dimethoxyphenyl)methyl]-5-[(2-methylphenyl)methylamino]pyridine-2-carboxamide?
The canonical SMILES for N-[(3,4-dimethoxyphenyl)methyl]-5-[(2-methylphenyl)methylamino]pyridine-2-carboxamide is COc1ccc(CNC(=O)c2ccc(NCc3ccccc3C)cn2)cc1OC.
What is the InChIKey of N-[(3,4-dimethoxyphenyl)methyl]-5-[(2-methylphenyl)methylamino]pyridine-2-carboxamide?
The InChIKey is KHRLBKSQVILZLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O3/c1-16-6-4-5-7-18(16)14-24-19-9-10-20(25-15-19)23(27)26-13-17-8-11-21(28-2)22(12-17)29-3/h4-12,15,24H,13-14H2,1-3H3,(H,26,27).
What are the key properties of N-[(3,4-dimethoxyphenyl)methyl]-5-[(2-methylphenyl)methylamino]pyridine-2-carboxamide?
N-[(3,4-dimethoxyphenyl)methyl]-5-[(2-methylphenyl)methylamino]pyridine-2-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-2-carboxamide is sourced from PubChem (CID 109188273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).