N-[(3,4-dimethoxyphenyl)methyl]-N-ethyl-3-methyl-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide

C22H27N3O4 — CID 78830850

IUPACN-[(3,4-dimethoxyphenyl)methyl]-N-ethyl-3-methyl-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
SMILESCCN(Cc1ccc(OC)c(OC)c1)C(=O)c1cc(C(C)C)nc2onc(C)c12
InChIInChI=1S/C22H27N3O4/c1-7-25(12-15-8-9-18(27-5)19(10-15)28-6)22(26)16-11-17(13(2)3)23-21-20(16)14(4)24-29-21/h8-11,13H,7,12H2,1-6H3
InChIKeyMBGPQNDZXIMMNL-UHFFFAOYSA-N
MW397.48 g/mol
LogP4.33
Rot. Bonds7

About N-[(3,4-dimethoxyphenyl)methyl]-N-ethyl-3-methyl-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide

N-[(3,4-dimethoxyphenyl)methyl]-N-ethyl-3-methyl-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 78830850) has the molecular formula C22H27N3O4 and a molecular weight of 397.48 g/mol. Its IUPAC name is N-[(3,4-dimethoxyphenyl)methyl]-N-ethyl-3-methyl-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[(3,4-dimethoxyphenyl)methyl]-N-ethyl-3-methyl-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
PubChem CID78830850
Molecular FormulaC22H27N3O4
Molecular Weight397.48 g/mol
Exact Mass397.20
IUPAC NameN-[(3,4-dimethoxyphenyl)methyl]-N-ethyl-3-methyl-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
SMILESCCN(Cc1ccc(OC)c(OC)c1)C(=O)c1cc(C(C)C)nc2onc(C)c12
InChIInChI=1S/C22H27N3O4/c1-7-25(12-15-8-9-18(27-5)19(10-15)28-6)22(26)16-11-17(13(2)3)23-21-20(16)14(4)24-29-21/h8-11,13H,7,12H2,1-6H3
InChIKeyMBGPQNDZXIMMNL-UHFFFAOYSA-N
XLogP4.33
TPSA77.69 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.48
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(3,4-dimethoxyphenyl)methyl]-N-ethyl-3-methyl-6-(4-methylphenyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 30125830
N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-N,3-dimethyl-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 78861333
N-[(3-fluoro-4-methoxyphenyl)methyl]-N,3-dimethyl-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 78831346
N-ethyl-N-(2-hydroxyethyl)-3-methyl-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 78855535
N-butyl-N-ethyl-3-methyl-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 78836039
N-ethyl-3-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 78831683
N-methoxy-N,3-dimethyl-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 78836038
N-(1-aminopropan-2-yl)-N,3-dimethyl-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide;hydrochloride
CID 119582443
N-[(3-chlorophenyl)methyl]-N,3-dimethyl-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 78831602
N-ethyl-3-methyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 78831721
3-methyl-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylic acid
CID 9391694
N-(5-chloro-2-methoxyphenyl)-3-methyl-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 45495715

Frequently Asked Questions

What is the IUPAC name of N-[(3,4-dimethoxyphenyl)methyl]-N-ethyl-3-methyl-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The IUPAC name of N-[(3,4-dimethoxyphenyl)methyl]-N-ethyl-3-methyl-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide (CID 78830850) is N-[(3,4-dimethoxyphenyl)methyl]-N-ethyl-3-methyl-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide.
What is the SMILES notation for N-[(3,4-dimethoxyphenyl)methyl]-N-ethyl-3-methyl-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The canonical SMILES for N-[(3,4-dimethoxyphenyl)methyl]-N-ethyl-3-methyl-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide is CCN(Cc1ccc(OC)c(OC)c1)C(=O)c1cc(C(C)C)nc2onc(C)c12.
What is the InChIKey of N-[(3,4-dimethoxyphenyl)methyl]-N-ethyl-3-methyl-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The InChIKey is MBGPQNDZXIMMNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O4/c1-7-25(12-15-8-9-18(27-5)19(10-15)28-6)22(26)16-11-17(13(2)3)23-21-20(16)14(4)24-29-21/h8-11,13H,7,12H2,1-6H3.
What are the key properties of N-[(3,4-dimethoxyphenyl)methyl]-N-ethyl-3-methyl-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
N-[(3,4-dimethoxyphenyl)methyl]-N-ethyl-3-methyl-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 397.48 g/mol, XLogP of 4.33, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-dimethoxyphenyl)methyl]-N-ethyl-3-methyl-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 78830850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).