N-(3-amino-2,2-dimethylpropyl)-6-(2,5-dimethylthiophen-3-yl)-N,3-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide

C20H26N4O2S — CID 119654946

IUPACN-(3-amino-2,2-dimethylpropyl)-6-(2,5-dimethylthiophen-3-yl)-N,3-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
SMILESCc1cc(-c2cc(C(=O)N(C)CC(C)(C)CN)c3c(C)noc3n2)c(C)s1
InChIInChI=1S/C20H26N4O2S/c1-11-7-14(13(3)27-11)16-8-15(17-12(2)23-26-18(17)22-16)19(25)24(6)10-20(4,5)9-21/h7-8H,9-10,21H2,1-6H3
InChIKeyOAXUXKIQBCWTIQ-UHFFFAOYSA-N
MW386.52 g/mol
LogP3.93
Rot. Bonds5

About N-(3-amino-2,2-dimethylpropyl)-6-(2,5-dimethylthiophen-3-yl)-N,3-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide

N-(3-amino-2,2-dimethylpropyl)-6-(2,5-dimethylthiophen-3-yl)-N,3-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 119654946) has the molecular formula C20H26N4O2S and a molecular weight of 386.52 g/mol. Its IUPAC name is N-(3-amino-2,2-dimethylpropyl)-6-(2,5-dimethylthiophen-3-yl)-N,3-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-(3-amino-2,2-dimethylpropyl)-6-(2,5-dimethylthiophen-3-yl)-N,3-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
PubChem CID119654946
Molecular FormulaC20H26N4O2S
Molecular Weight386.52 g/mol
Exact Mass386.18
IUPAC NameN-(3-amino-2,2-dimethylpropyl)-6-(2,5-dimethylthiophen-3-yl)-N,3-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
SMILESCc1cc(-c2cc(C(=O)N(C)CC(C)(C)CN)c3c(C)noc3n2)c(C)s1
InChIInChI=1S/C20H26N4O2S/c1-11-7-14(13(3)27-11)16-8-15(17-12(2)23-26-18(17)22-16)19(25)24(6)10-20(4,5)9-21/h7-8H,9-10,21H2,1-6H3
InChIKeyOAXUXKIQBCWTIQ-UHFFFAOYSA-N
XLogP3.93
TPSA85.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.52
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3-amino-2,2-dimethylpropyl)-6-cyclopropyl-N,3-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 119656768
N-(1-amino-2-cyclopropylpropan-2-yl)-6-(2,5-dimethylthiophen-3-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 119574270
(2,2-dichlorocyclopropyl)methyl 6-(2,5-dimethylthiophen-3-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate
CID 18158226
6-(2,5-dimethylthiophen-3-yl)-N,3-dimethyl-N-[(4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl)methyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 136952574
[2-[furan-2-ylmethyl(methyl)amino]-2-oxoethyl] 6-(2,5-dimethylthiophen-3-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate
CID 35732537
6-(2,5-dimethylthiophen-3-yl)-N-[2-(ethylamino)ethyl]-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 119507261
(1-oxo-1-pyrrolidin-1-ylpropan-2-yl) 6-(2,5-dimethylthiophen-3-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate
CID 43051191
N-(2-amino-1-cyclopropylethyl)-6-(2,5-dimethylthiophen-3-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide;hydrochloride
CID 119615488
ethyl 4-[[6-(2,5-dimethylthiophen-3-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl]amino]butanoate
CID 78831075
(4-aminopiperidin-1-yl)-[6-(2,5-dimethylthiophen-3-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridin-4-yl]methanone;hydrochloride
CID 119375060
[2-(furan-2-ylmethylamino)-2-oxoethyl] 6-(2,5-dimethylthiophen-3-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate
CID 46682109
N-[2-(cyclopropylmethoxy)ethyl]-6-(2,5-dimethylthiophen-3-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 86900169

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2,2-dimethylpropyl)-6-(2,5-dimethylthiophen-3-yl)-N,3-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The IUPAC name of N-(3-amino-2,2-dimethylpropyl)-6-(2,5-dimethylthiophen-3-yl)-N,3-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide (CID 119654946) is N-(3-amino-2,2-dimethylpropyl)-6-(2,5-dimethylthiophen-3-yl)-N,3-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide.
What is the SMILES notation for N-(3-amino-2,2-dimethylpropyl)-6-(2,5-dimethylthiophen-3-yl)-N,3-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The canonical SMILES for N-(3-amino-2,2-dimethylpropyl)-6-(2,5-dimethylthiophen-3-yl)-N,3-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide is Cc1cc(-c2cc(C(=O)N(C)CC(C)(C)CN)c3c(C)noc3n2)c(C)s1.
What is the InChIKey of N-(3-amino-2,2-dimethylpropyl)-6-(2,5-dimethylthiophen-3-yl)-N,3-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The InChIKey is OAXUXKIQBCWTIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O2S/c1-11-7-14(13(3)27-11)16-8-15(17-12(2)23-26-18(17)22-16)19(25)24(6)10-20(4,5)9-21/h7-8H,9-10,21H2,1-6H3.
What are the key properties of N-(3-amino-2,2-dimethylpropyl)-6-(2,5-dimethylthiophen-3-yl)-N,3-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
N-(3-amino-2,2-dimethylpropyl)-6-(2,5-dimethylthiophen-3-yl)-N,3-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 386.52 g/mol, XLogP of 3.93, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-2,2-dimethylpropyl)-6-(2,5-dimethylthiophen-3-yl)-N,3-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 119654946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).