5-[2-(3,4-dimethoxyphenyl)ethylamino]-N-(5-methyl-1,2-oxazol-3-yl)pyridine-3-carboxamide

C20H22N4O4 — CID 109237779

IUPAC5-[2-(3,4-dimethoxyphenyl)ethylamino]-N-(5-methyl-1,2-oxazol-3-yl)pyridine-3-carboxamide
SMILESCOc1ccc(CCNc2cncc(C(=O)Nc3cc(C)on3)c2)cc1OC
InChIInChI=1S/C20H22N4O4/c1-13-8-19(24-28-13)23-20(25)15-10-16(12-21-11-15)22-7-6-14-4-5-17(26-2)18(9-14)27-3/h4-5,8-12,22H,6-7H2,1-3H3,(H,23,24,25)
InChIKeyYWKPZDLFOWMROS-UHFFFAOYSA-N
MW382.42 g/mol
LogP3.30
Rot. Bonds8

About 5-[2-(3,4-dimethoxyphenyl)ethylamino]-N-(5-methyl-1,2-oxazol-3-yl)pyridine-3-carboxamide

5-[2-(3,4-dimethoxyphenyl)ethylamino]-N-(5-methyl-1,2-oxazol-3-yl)pyridine-3-carboxamide (PubChem CID 109237779) has the molecular formula C20H22N4O4 and a molecular weight of 382.42 g/mol. Its IUPAC name is 5-[2-(3,4-dimethoxyphenyl)ethylamino]-N-(5-methyl-1,2-oxazol-3-yl)pyridine-3-carboxamide.

Molecular Properties

Compound Name5-[2-(3,4-dimethoxyphenyl)ethylamino]-N-(5-methyl-1,2-oxazol-3-yl)pyridine-3-carboxamide
PubChem CID109237779
Molecular FormulaC20H22N4O4
Molecular Weight382.42 g/mol
Exact Mass382.16
IUPAC Name5-[2-(3,4-dimethoxyphenyl)ethylamino]-N-(5-methyl-1,2-oxazol-3-yl)pyridine-3-carboxamide
SMILESCOc1ccc(CCNc2cncc(C(=O)Nc3cc(C)on3)c2)cc1OC
InChIInChI=1S/C20H22N4O4/c1-13-8-19(24-28-13)23-20(25)15-10-16(12-21-11-15)22-7-6-14-4-5-17(26-2)18(9-14)27-3/h4-5,8-12,22H,6-7H2,1-3H3,(H,23,24,25)
InChIKeyYWKPZDLFOWMROS-UHFFFAOYSA-N
XLogP3.30
TPSA98.51 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.42
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

5-[2-(3,4-dimethoxyphenyl)ethylamino]-N-(4-methylphenyl)pyridine-3-carboxamide
CID 109237774
5-(2-methoxyethylamino)-N-(5-methyl-1,2-oxazol-3-yl)pyridine-3-carboxamide
CID 109228004
N-(2-methoxy-5-methylphenyl)-5-[2-(4-methoxyphenyl)ethylamino]pyridine-3-carboxamide
CID 109236957
5-[(3,4-dimethoxyphenyl)methylamino]-N-(3,4-dimethylphenyl)pyridine-3-carboxamide
CID 109237942
N-[2-(3,4-dimethoxyphenyl)ethyl]-5-(pyridin-4-ylmethylamino)pyridine-3-carboxamide
CID 109235646
N-(5-methyl-1,2-oxazol-3-yl)-5-(pyridin-3-ylmethylamino)pyridine-3-carboxamide
CID 109235488
5-(3,4-dimethylanilino)-N-(5-methyl-1,2-oxazol-3-yl)pyridine-3-carboxamide
CID 109243004
5-N-[2-(3,4-dimethoxyphenyl)ethyl]-3-N-methylpyridine-3,5-diamine
CID 104532597
5-[(3,4-dimethoxyphenyl)methylamino]-N-(5-methyl-1,2-oxazol-3-yl)pyrazine-2-carboxamide
CID 109285950
N-(4-acetylphenyl)-5-[2-(4-methoxyphenyl)ethylamino]pyridine-3-carboxamide
CID 109236959
N-[2-(4-chlorophenyl)ethyl]-5-[(5-methyl-1,2-oxazol-3-yl)amino]pyridine-3-carboxamide
CID 109237830
2-[(3,4-dimethoxyphenyl)methylamino]-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-4-carboxamide
CID 109309877

Frequently Asked Questions

What is the IUPAC name of 5-[2-(3,4-dimethoxyphenyl)ethylamino]-N-(5-methyl-1,2-oxazol-3-yl)pyridine-3-carboxamide?
The IUPAC name of 5-[2-(3,4-dimethoxyphenyl)ethylamino]-N-(5-methyl-1,2-oxazol-3-yl)pyridine-3-carboxamide (CID 109237779) is 5-[2-(3,4-dimethoxyphenyl)ethylamino]-N-(5-methyl-1,2-oxazol-3-yl)pyridine-3-carboxamide.
What is the SMILES notation for 5-[2-(3,4-dimethoxyphenyl)ethylamino]-N-(5-methyl-1,2-oxazol-3-yl)pyridine-3-carboxamide?
The canonical SMILES for 5-[2-(3,4-dimethoxyphenyl)ethylamino]-N-(5-methyl-1,2-oxazol-3-yl)pyridine-3-carboxamide is COc1ccc(CCNc2cncc(C(=O)Nc3cc(C)on3)c2)cc1OC.
What is the InChIKey of 5-[2-(3,4-dimethoxyphenyl)ethylamino]-N-(5-methyl-1,2-oxazol-3-yl)pyridine-3-carboxamide?
The InChIKey is YWKPZDLFOWMROS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O4/c1-13-8-19(24-28-13)23-20(25)15-10-16(12-21-11-15)22-7-6-14-4-5-17(26-2)18(9-14)27-3/h4-5,8-12,22H,6-7H2,1-3H3,(H,23,24,25).
What are the key properties of 5-[2-(3,4-dimethoxyphenyl)ethylamino]-N-(5-methyl-1,2-oxazol-3-yl)pyridine-3-carboxamide?
5-[2-(3,4-dimethoxyphenyl)ethylamino]-N-(5-methyl-1,2-oxazol-3-yl)pyridine-3-carboxamide has a molecular weight of 382.42 g/mol, XLogP of 3.30, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(3,4-dimethoxyphenyl)ethylamino]-N-(5-methyl-1,2-oxazol-3-yl)pyridine-3-carboxamide is sourced from PubChem (CID 109237779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).