N-[6-[(4-methoxyphenyl)methylamino]-3-pyridinyl]benzamide

C20H19N3O2 — CID 113012431

IUPACN-[6-[(4-methoxyphenyl)methylamino]-3-pyridinyl]benzamide
SMILESCOc1ccc(CNc2ccc(NC(=O)c3ccccc3)cn2)cc1
InChIInChI=1S/C20H19N3O2/c1-25-18-10-7-15(8-11-18)13-21-19-12-9-17(14-22-19)23-20(24)16-5-3-2-4-6-16/h2-12,14H,13H2,1H3,(H,21,22)(H,23,24)
InChIKeyHREIFUZGPMVFEW-UHFFFAOYSA-N
MW333.39 g/mol
LogP3.95
Rot. Bonds6

About N-[6-[(4-methoxyphenyl)methylamino]-3-pyridinyl]benzamide

N-[6-[(4-methoxyphenyl)methylamino]-3-pyridinyl]benzamide (PubChem CID 113012431) has the molecular formula C20H19N3O2 and a molecular weight of 333.39 g/mol. Its IUPAC name is N-[6-[(4-methoxyphenyl)methylamino]-3-pyridinyl]benzamide.

Molecular Properties

Compound NameN-[6-[(4-methoxyphenyl)methylamino]-3-pyridinyl]benzamide
PubChem CID113012431
Molecular FormulaC20H19N3O2
Molecular Weight333.39 g/mol
Exact Mass333.15
IUPAC NameN-[6-[(4-methoxyphenyl)methylamino]-3-pyridinyl]benzamide
SMILESCOc1ccc(CNc2ccc(NC(=O)c3ccccc3)cn2)cc1
InChIInChI=1S/C20H19N3O2/c1-25-18-10-7-15(8-11-18)13-21-19-12-9-17(14-22-19)23-20(24)16-5-3-2-4-6-16/h2-12,14H,13H2,1H3,(H,21,22)(H,23,24)
InChIKeyHREIFUZGPMVFEW-UHFFFAOYSA-N
XLogP3.95
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.39
LogP ≤ 53.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[6-(benzylamino)-3-pyridinyl]-3,5-dimethoxybenzamide
CID 113011445
N-(3-methoxyphenyl)-6-[(4-methoxyphenyl)methylamino]pyridine-3-carboxamide
CID 109157277
N-[6-[(4-methoxyphenyl)methylamino]pyridazin-3-yl]benzamide
CID 113041752
4-methyl-N-[6-[(4-methylphenyl)methylamino]-3-pyridinyl]benzamide
CID 113011759
2-(benzylamino)-N-(4-methoxyphenyl)pyrimidine-5-carboxamide
CID 109255470
4-methoxy-N-[6-[2-(4-methoxyphenoxy)ethylamino]-3-pyridinyl]benzamide
CID 113014697
N-[5-(benzylamino)-2-pyridinyl]benzamide
CID 113026368
methyl N-[5-[(4-methoxyphenyl)methylamino]-2-pyridinyl]carbamate
CID 113027448
2-(4-methoxyphenyl)-N-[6-[(2-methoxyphenyl)methylamino]-3-pyridinyl]acetamide
CID 113012370
4-methoxy-N-[6-[(4-methoxyphenyl)methylamino]pyridazin-3-yl]benzamide
CID 113041761
4-fluoro-N-[6-[(4-methylphenyl)methylamino]-3-pyridinyl]benzamide
CID 113011762
N-[6-[(4-fluorophenyl)methylamino]-3-pyridinyl]-4-methylbenzamide
CID 113012110

Frequently Asked Questions

What is the IUPAC name of N-[6-[(4-methoxyphenyl)methylamino]-3-pyridinyl]benzamide?
The IUPAC name of N-[6-[(4-methoxyphenyl)methylamino]-3-pyridinyl]benzamide (CID 113012431) is N-[6-[(4-methoxyphenyl)methylamino]-3-pyridinyl]benzamide.
What is the SMILES notation for N-[6-[(4-methoxyphenyl)methylamino]-3-pyridinyl]benzamide?
The canonical SMILES for N-[6-[(4-methoxyphenyl)methylamino]-3-pyridinyl]benzamide is COc1ccc(CNc2ccc(NC(=O)c3ccccc3)cn2)cc1.
What is the InChIKey of N-[6-[(4-methoxyphenyl)methylamino]-3-pyridinyl]benzamide?
The InChIKey is HREIFUZGPMVFEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O2/c1-25-18-10-7-15(8-11-18)13-21-19-12-9-17(14-22-19)23-20(24)16-5-3-2-4-6-16/h2-12,14H,13H2,1H3,(H,21,22)(H,23,24).
What are the key properties of N-[6-[(4-methoxyphenyl)methylamino]-3-pyridinyl]benzamide?
N-[6-[(4-methoxyphenyl)methylamino]-3-pyridinyl]benzamide has a molecular weight of 333.39 g/mol, XLogP of 3.95, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[(4-methoxyphenyl)methylamino]-3-pyridinyl]benzamide is sourced from PubChem (CID 113012431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).