N-benzyl-2-[(3,4-dimethoxyphenyl)methylamino]-N-methylpyridine-4-carboxamide

C23H25N3O3 — CID 109170226

IUPACN-benzyl-2-[(3,4-dimethoxyphenyl)methylamino]-N-methylpyridine-4-carboxamide
SMILESCOc1ccc(CNc2cc(C(=O)N(C)Cc3ccccc3)ccn2)cc1OC
InChIInChI=1S/C23H25N3O3/c1-26(16-17-7-5-4-6-8-17)23(27)19-11-12-24-22(14-19)25-15-18-9-10-20(28-2)21(13-18)29-3/h4-14H,15-16H2,1-3H3,(H,24,25)
InChIKeyNMRNORREJPMTQS-UHFFFAOYSA-N
MW391.47 g/mol
LogP3.98
Rot. Bonds8

About N-benzyl-2-[(3,4-dimethoxyphenyl)methylamino]-N-methylpyridine-4-carboxamide

N-benzyl-2-[(3,4-dimethoxyphenyl)methylamino]-N-methylpyridine-4-carboxamide (PubChem CID 109170226) has the molecular formula C23H25N3O3 and a molecular weight of 391.47 g/mol. Its IUPAC name is N-benzyl-2-[(3,4-dimethoxyphenyl)methylamino]-N-methylpyridine-4-carboxamide.

Molecular Properties

Compound NameN-benzyl-2-[(3,4-dimethoxyphenyl)methylamino]-N-methylpyridine-4-carboxamide
PubChem CID109170226
Molecular FormulaC23H25N3O3
Molecular Weight391.47 g/mol
Exact Mass391.19
IUPAC NameN-benzyl-2-[(3,4-dimethoxyphenyl)methylamino]-N-methylpyridine-4-carboxamide
SMILESCOc1ccc(CNc2cc(C(=O)N(C)Cc3ccccc3)ccn2)cc1OC
InChIInChI=1S/C23H25N3O3/c1-26(16-17-7-5-4-6-8-17)23(27)19-11-12-24-22(14-19)25-15-18-9-10-20(28-2)21(13-18)29-3/h4-14H,15-16H2,1-3H3,(H,24,25)
InChIKeyNMRNORREJPMTQS-UHFFFAOYSA-N
XLogP3.98
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.47
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-benzyl-2-(2,5-dimethoxyanilino)-N-methylpyridine-4-carboxamide
CID 109170260
N-benzyl-N-methyl-2-(pentylamino)pyridine-4-carboxamide
CID 109170237
N-[(3,4-dimethoxyphenyl)methyl]-2-[(4-fluorophenyl)methylamino]pyridine-4-carboxamide
CID 109170648
2-anilino-N-[(3,4-dimethoxyphenyl)methyl]pyridine-4-carboxamide
CID 109173887
4-N-benzyl-2-N-[(2-methoxyphenyl)methyl]-4-N-methylpyridine-2,4-dicarboxamide
CID 109086172
N-benzyl-2-(benzylamino)-N-propan-2-ylpyridine-4-carboxamide
CID 109169536
N-cyclohexyl-2-[(3,4-dimethoxyphenyl)methylamino]pyridine-4-carboxamide
CID 109166273
N-benzyl-6-(3,4-dimethoxyanilino)-N-methylpyridine-3-carboxamide
CID 109156396
N-[(3,4-dimethoxyphenyl)methyl]-2-(2-methylpropylamino)pyridine-4-carboxamide
CID 109165743
N-[(4-chlorophenyl)methyl]-3,4-dimethoxy-N-methylbenzamide
CID 28632210
N-benzyl-3-methoxy-N-methyl-4-prop-2-enoxybenzamide
CID 134016517
N-benzyl-N-methyl-2-(2-propan-2-yloxyanilino)pyridine-4-carboxamide
CID 109170258

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[(3,4-dimethoxyphenyl)methylamino]-N-methylpyridine-4-carboxamide?
The IUPAC name of N-benzyl-2-[(3,4-dimethoxyphenyl)methylamino]-N-methylpyridine-4-carboxamide (CID 109170226) is N-benzyl-2-[(3,4-dimethoxyphenyl)methylamino]-N-methylpyridine-4-carboxamide.
What is the SMILES notation for N-benzyl-2-[(3,4-dimethoxyphenyl)methylamino]-N-methylpyridine-4-carboxamide?
The canonical SMILES for N-benzyl-2-[(3,4-dimethoxyphenyl)methylamino]-N-methylpyridine-4-carboxamide is COc1ccc(CNc2cc(C(=O)N(C)Cc3ccccc3)ccn2)cc1OC.
What is the InChIKey of N-benzyl-2-[(3,4-dimethoxyphenyl)methylamino]-N-methylpyridine-4-carboxamide?
The InChIKey is NMRNORREJPMTQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O3/c1-26(16-17-7-5-4-6-8-17)23(27)19-11-12-24-22(14-19)25-15-18-9-10-20(28-2)21(13-18)29-3/h4-14H,15-16H2,1-3H3,(H,24,25).
What are the key properties of N-benzyl-2-[(3,4-dimethoxyphenyl)methylamino]-N-methylpyridine-4-carboxamide?
N-benzyl-2-[(3,4-dimethoxyphenyl)methylamino]-N-methylpyridine-4-carboxamide has a molecular weight of 391.47 g/mol, XLogP of 3.98, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-[(3,4-dimethoxyphenyl)methylamino]-N-methylpyridine-4-carboxamide is sourced from PubChem (CID 109170226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).