6-cyclopropyl-N-[1-(4,5-dimethoxy-2-methylphenyl)ethyl]-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide

C22H25N3O4 — CID 78878422

IUPAC6-cyclopropyl-N-[1-(4,5-dimethoxy-2-methylphenyl)ethyl]-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
SMILESCOc1cc(C)c(C(C)NC(=O)c2cc(C3CC3)nc3onc(C)c23)cc1OC
InChIInChI=1S/C22H25N3O4/c1-11-8-18(27-4)19(28-5)10-15(11)12(2)23-21(26)16-9-17(14-6-7-14)24-22-20(16)13(3)25-29-22/h8-10,12,14H,6-7H2,1-5H3,(H,23,26)
InChIKeyWSLMGIIELYKMRL-UHFFFAOYSA-N
MW395.46 g/mol
LogP4.23
Rot. Bonds6

About 6-cyclopropyl-N-[1-(4,5-dimethoxy-2-methylphenyl)ethyl]-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide

6-cyclopropyl-N-[1-(4,5-dimethoxy-2-methylphenyl)ethyl]-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 78878422) has the molecular formula C22H25N3O4 and a molecular weight of 395.46 g/mol. Its IUPAC name is 6-cyclopropyl-N-[1-(4,5-dimethoxy-2-methylphenyl)ethyl]-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound Name6-cyclopropyl-N-[1-(4,5-dimethoxy-2-methylphenyl)ethyl]-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
PubChem CID78878422
Molecular FormulaC22H25N3O4
Molecular Weight395.46 g/mol
Exact Mass395.18
IUPAC Name6-cyclopropyl-N-[1-(4,5-dimethoxy-2-methylphenyl)ethyl]-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
SMILESCOc1cc(C)c(C(C)NC(=O)c2cc(C3CC3)nc3onc(C)c23)cc1OC
InChIInChI=1S/C22H25N3O4/c1-11-8-18(27-4)19(28-5)10-15(11)12(2)23-21(26)16-9-17(14-6-7-14)24-22-20(16)13(3)25-29-22/h8-10,12,14H,6-7H2,1-5H3,(H,23,26)
InChIKeyWSLMGIIELYKMRL-UHFFFAOYSA-N
XLogP4.23
TPSA86.48 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.46
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

6-cyclopropyl-N-[(1S)-1-(4-methoxyphenyl)ethyl]-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 51853181
6-cyclopropyl-3-methyl-N-[1-(4-propan-2-ylphenyl)ethyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 171315013
methyl 2-[(6-cyclopropyl-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl)amino]-4-methylpentanoate
CID 51302326
N-[1-(3-bromophenyl)ethyl]-6-cyclopropyl-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 43059233
6-cyclopropyl-N-[2-(2-methoxyphenoxy)ethyl]-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 26063473
3-[(6-cyclopropyl-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl)amino]-4,5-dimethoxybenzoic acid
CID 119214141
6-cyclopropyl-3-methyl-N-[2-(methylamino)propyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 120830455
N-(3-amino-2-methylpropyl)-6-cyclopropyl-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 119997760
(2S)-2-[(6-cyclopropyl-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl)amino]hexanoic acid
CID 120615622
6-(4-fluorophenyl)-N-[(1R)-1-(2-methoxyphenyl)ethyl]-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 25491415
6-(4-fluorophenyl)-N-[1-(2-methoxyphenyl)ethyl]-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 42930048
6-cyclopropyl-3-methyl-N-(2,4,6-trimethyl-3-pyridinyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 78859802

Frequently Asked Questions

What is the IUPAC name of 6-cyclopropyl-N-[1-(4,5-dimethoxy-2-methylphenyl)ethyl]-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The IUPAC name of 6-cyclopropyl-N-[1-(4,5-dimethoxy-2-methylphenyl)ethyl]-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide (CID 78878422) is 6-cyclopropyl-N-[1-(4,5-dimethoxy-2-methylphenyl)ethyl]-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide.
What is the SMILES notation for 6-cyclopropyl-N-[1-(4,5-dimethoxy-2-methylphenyl)ethyl]-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The canonical SMILES for 6-cyclopropyl-N-[1-(4,5-dimethoxy-2-methylphenyl)ethyl]-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide is COc1cc(C)c(C(C)NC(=O)c2cc(C3CC3)nc3onc(C)c23)cc1OC.
What is the InChIKey of 6-cyclopropyl-N-[1-(4,5-dimethoxy-2-methylphenyl)ethyl]-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The InChIKey is WSLMGIIELYKMRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O4/c1-11-8-18(27-4)19(28-5)10-15(11)12(2)23-21(26)16-9-17(14-6-7-14)24-22-20(16)13(3)25-29-22/h8-10,12,14H,6-7H2,1-5H3,(H,23,26).
What are the key properties of 6-cyclopropyl-N-[1-(4,5-dimethoxy-2-methylphenyl)ethyl]-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
6-cyclopropyl-N-[1-(4,5-dimethoxy-2-methylphenyl)ethyl]-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 395.46 g/mol, XLogP of 4.23, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopropyl-N-[1-(4,5-dimethoxy-2-methylphenyl)ethyl]-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 78878422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).