N-(2-amino-2-methylpropyl)-6-cyclopropyl-3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide;hydrochloride

C17H25ClN4O2 — CID 119627996

IUPACN-(2-amino-2-methylpropyl)-6-cyclopropyl-3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide;hydrochloride
SMILESCC(C)c1noc2nc(C3CC3)cc(C(=O)NCC(C)(C)N)c12.Cl
InChIInChI=1S/C17H24N4O2.ClH/c1-9(2)14-13-11(15(22)19-8-17(3,4)18)7-12(10-5-6-10)20-16(13)23-21-14;/h7,9-10H,5-6,8,18H2,1-4H3,(H,19,22);1H
InChIKeyIGCRBFDZDJYMPH-UHFFFAOYSA-N
MW352.87 g/mol
LogP3.11
Rot. Bonds5

About N-(2-amino-2-methylpropyl)-6-cyclopropyl-3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide;hydrochloride

N-(2-amino-2-methylpropyl)-6-cyclopropyl-3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide;hydrochloride (PubChem CID 119627996) has the molecular formula C17H25ClN4O2 and a molecular weight of 352.87 g/mol. Its IUPAC name is N-(2-amino-2-methylpropyl)-6-cyclopropyl-3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(2-amino-2-methylpropyl)-6-cyclopropyl-3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide;hydrochloride
PubChem CID119627996
Molecular FormulaC17H25ClN4O2
Molecular Weight352.87 g/mol
Exact Mass352.17
IUPAC NameN-(2-amino-2-methylpropyl)-6-cyclopropyl-3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide;hydrochloride
SMILESCC(C)c1noc2nc(C3CC3)cc(C(=O)NCC(C)(C)N)c12.Cl
InChIInChI=1S/C17H24N4O2.ClH/c1-9(2)14-13-11(15(22)19-8-17(3,4)18)7-12(10-5-6-10)20-16(13)23-21-14;/h7,9-10H,5-6,8,18H2,1-4H3,(H,19,22);1H
InChIKeyIGCRBFDZDJYMPH-UHFFFAOYSA-N
XLogP3.11
TPSA94.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.87
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2S)-1-aminopropan-2-yl]-6-cyclopropyl-3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide;hydrochloride
CID 120504754
6-cyclopropyl-N-(3-hydroxypropyl)-3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 78876018
N-[(2S)-1-aminopropan-2-yl]-6-cyclopropyl-3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 120504755
6-cyclopropyl-N-(1-hydroxypropan-2-yl)-3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 78875339
N-(4-aminocyclohexyl)-6-cyclopropyl-3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide;hydrochloride
CID 119476558
N-(1-amino-4-methylpentan-2-yl)-6-cyclopropyl-3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide;hydrochloride
CID 119586985
6-cyclopropyl-N-(1-hydroxybutan-2-yl)-3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 110891714
(2R)-2-[(6-cyclopropyl-3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl)amino]-3-methylbutanoic acid
CID 119368348
6-cyclopropyl-N-[(4-methylquinazolin-2-yl)methyl]-3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 71880326
6-cyclopropyl-N-(3-piperazin-1-ylpropyl)-3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 119392472
6-cyclopropyl-N-[[1-[hydroxy(phenyl)methyl]cyclopropyl]methyl]-3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 138992326
6-cyclopropyl-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 120887525

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-methylpropyl)-6-cyclopropyl-3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide;hydrochloride?
The IUPAC name of N-(2-amino-2-methylpropyl)-6-cyclopropyl-3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide;hydrochloride (CID 119627996) is N-(2-amino-2-methylpropyl)-6-cyclopropyl-3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide;hydrochloride.
What is the SMILES notation for N-(2-amino-2-methylpropyl)-6-cyclopropyl-3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide;hydrochloride?
The canonical SMILES for N-(2-amino-2-methylpropyl)-6-cyclopropyl-3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide;hydrochloride is CC(C)c1noc2nc(C3CC3)cc(C(=O)NCC(C)(C)N)c12.Cl.
What is the InChIKey of N-(2-amino-2-methylpropyl)-6-cyclopropyl-3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide;hydrochloride?
The InChIKey is IGCRBFDZDJYMPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O2.ClH/c1-9(2)14-13-11(15(22)19-8-17(3,4)18)7-12(10-5-6-10)20-16(13)23-21-14;/h7,9-10H,5-6,8,18H2,1-4H3,(H,19,22);1H.
What are the key properties of N-(2-amino-2-methylpropyl)-6-cyclopropyl-3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide;hydrochloride?
N-(2-amino-2-methylpropyl)-6-cyclopropyl-3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide;hydrochloride has a molecular weight of 352.87 g/mol, XLogP of 3.11, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-methylpropyl)-6-cyclopropyl-3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide;hydrochloride is sourced from PubChem (CID 119627996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).