5-(benzylamino)-N-(3,4,5-trimethoxyphenyl)pyridine-2-carboxamide

C22H23N3O4 — CID 109188107

IUPAC5-(benzylamino)-N-(3,4,5-trimethoxyphenyl)pyridine-2-carboxamide
SMILESCOc1cc(NC(=O)c2ccc(NCc3ccccc3)cn2)cc(OC)c1OC
InChIInChI=1S/C22H23N3O4/c1-27-19-11-17(12-20(28-2)21(19)29-3)25-22(26)18-10-9-16(14-24-18)23-13-15-7-5-4-6-8-15/h4-12,14,23H,13H2,1-3H3,(H,25,26)
InChIKeyFZFJGQQYELMIIR-UHFFFAOYSA-N
MW393.44 g/mol
LogP3.97
Rot. Bonds8

About 5-(benzylamino)-N-(3,4,5-trimethoxyphenyl)pyridine-2-carboxamide

5-(benzylamino)-N-(3,4,5-trimethoxyphenyl)pyridine-2-carboxamide (PubChem CID 109188107) has the molecular formula C22H23N3O4 and a molecular weight of 393.44 g/mol. Its IUPAC name is 5-(benzylamino)-N-(3,4,5-trimethoxyphenyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name5-(benzylamino)-N-(3,4,5-trimethoxyphenyl)pyridine-2-carboxamide
PubChem CID109188107
Molecular FormulaC22H23N3O4
Molecular Weight393.44 g/mol
Exact Mass393.17
IUPAC Name5-(benzylamino)-N-(3,4,5-trimethoxyphenyl)pyridine-2-carboxamide
SMILESCOc1cc(NC(=O)c2ccc(NCc3ccccc3)cn2)cc(OC)c1OC
InChIInChI=1S/C22H23N3O4/c1-27-19-11-17(12-20(28-2)21(19)29-3)25-22(26)18-10-9-16(14-24-18)23-13-15-7-5-4-6-8-15/h4-12,14,23H,13H2,1-3H3,(H,25,26)
InChIKeyFZFJGQQYELMIIR-UHFFFAOYSA-N
XLogP3.97
TPSA81.71 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.44
LogP ≤ 53.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3,4-dimethoxyphenyl)-5-[(4-methoxyphenyl)methylamino]pyridine-2-carboxamide
CID 109190530
5-(benzylamino)-N-[4-(dimethylamino)phenyl]pyridine-2-carboxamide
CID 109188090
N-(3-chloro-4-methoxyphenyl)-5-[(4-fluorophenyl)methylamino]pyridine-2-carboxamide
CID 109189780
N-(2-methoxyphenyl)-5-(pyridin-3-ylmethylamino)pyridine-2-carboxamide
CID 109191392
N-[4-(benzylamino)phenyl]-2,6-dimethoxybenzamide
CID 112981913
2-phenylmethoxy-N-(3,4,5-trimethoxyphenyl)benzamide
CID 1328288
5-(benzylamino)-N-(3-bromophenyl)pyridine-2-carboxamide
CID 109188098
5-(benzylamino)-N-[4-(diethylamino)phenyl]pyridine-2-carboxamide
CID 109188091
N-[4-(benzylamino)phenyl]-2-methoxybenzamide
CID 112981909
N-(2,5-dimethoxyphenyl)-5-[(4-methoxyphenyl)methylamino]pyridine-2-carboxamide
CID 109190528
1-benzyl-N-(3,4,5-trimethoxyphenyl)triazole-4-carboxamide
CID 18152035
5-(benzylamino)-N-(4-cyanophenyl)pyridine-2-carboxamide
CID 109188122

Frequently Asked Questions

What is the IUPAC name of 5-(benzylamino)-N-(3,4,5-trimethoxyphenyl)pyridine-2-carboxamide?
The IUPAC name of 5-(benzylamino)-N-(3,4,5-trimethoxyphenyl)pyridine-2-carboxamide (CID 109188107) is 5-(benzylamino)-N-(3,4,5-trimethoxyphenyl)pyridine-2-carboxamide.
What is the SMILES notation for 5-(benzylamino)-N-(3,4,5-trimethoxyphenyl)pyridine-2-carboxamide?
The canonical SMILES for 5-(benzylamino)-N-(3,4,5-trimethoxyphenyl)pyridine-2-carboxamide is COc1cc(NC(=O)c2ccc(NCc3ccccc3)cn2)cc(OC)c1OC.
What is the InChIKey of 5-(benzylamino)-N-(3,4,5-trimethoxyphenyl)pyridine-2-carboxamide?
The InChIKey is FZFJGQQYELMIIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O4/c1-27-19-11-17(12-20(28-2)21(19)29-3)25-22(26)18-10-9-16(14-24-18)23-13-15-7-5-4-6-8-15/h4-12,14,23H,13H2,1-3H3,(H,25,26).
What are the key properties of 5-(benzylamino)-N-(3,4,5-trimethoxyphenyl)pyridine-2-carboxamide?
5-(benzylamino)-N-(3,4,5-trimethoxyphenyl)pyridine-2-carboxamide has a molecular weight of 393.44 g/mol, XLogP of 3.97, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(benzylamino)-N-(3,4,5-trimethoxyphenyl)pyridine-2-carboxamide is sourced from PubChem (CID 109188107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).