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

C17H27ClN4O2 — CID 119586431

IUPACN-(1-amino-4-methylpentan-2-yl)-3-methyl-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide;hydrochloride
SMILESCc1noc2nc(C(C)C)cc(C(=O)NC(CN)CC(C)C)c12.Cl
InChIInChI=1S/C17H26N4O2.ClH/c1-9(2)6-12(8-18)19-16(22)13-7-14(10(3)4)20-17-15(13)11(5)21-23-17;/h7,9-10,12H,6,8,18H2,1-5H3,(H,19,22);1H
InChIKeyHMIFVIGYRRZBDM-UHFFFAOYSA-N
MW354.88 g/mol
LogP3.18
Rot. Bonds6

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

N-(1-amino-4-methylpentan-2-yl)-3-methyl-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide;hydrochloride (PubChem CID 119586431) has the molecular formula C17H27ClN4O2 and a molecular weight of 354.88 g/mol. Its IUPAC name is N-(1-amino-4-methylpentan-2-yl)-3-methyl-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(1-amino-4-methylpentan-2-yl)-3-methyl-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide;hydrochloride
PubChem CID119586431
Molecular FormulaC17H27ClN4O2
Molecular Weight354.88 g/mol
Exact Mass354.18
IUPAC NameN-(1-amino-4-methylpentan-2-yl)-3-methyl-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide;hydrochloride
SMILESCc1noc2nc(C(C)C)cc(C(=O)NC(CN)CC(C)C)c12.Cl
InChIInChI=1S/C17H26N4O2.ClH/c1-9(2)6-12(8-18)19-16(22)13-7-14(10(3)4)20-17-15(13)11(5)21-23-17;/h7,9-10,12H,6,8,18H2,1-5H3,(H,19,22);1H
InChIKeyHMIFVIGYRRZBDM-UHFFFAOYSA-N
XLogP3.18
TPSA94.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.88
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-aminopropyl)-3-methyl-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide;hydrochloride
CID 119406041
N-(2-amino-2-methylpropyl)-3-methyl-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide;hydrochloride
CID 119627163
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-(1-amino-4-methylpentan-2-yl)-6-cyclopropyl-3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide;hydrochloride
CID 119586985
3-methyl-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylic acid
CID 9391694
N-[2-(4-aminophenyl)ethyl]-3-methyl-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 119548126
N-[1-(hydroxymethyl)cyclopentyl]-3-methyl-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 110008539
3-methyl-6-propan-2-yl-N-(1-thiophen-2-ylethyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 112806948
N-[2-(aminomethyl)cyclopentyl]-3-methyl-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 119601937
N'-(2-hydroxybenzoyl)-3-methyl-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carbohydrazide
CID 78831253
(2R)-2-[(3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl)amino]-4-methylpentanoic acid
CID 119363650
N-(1-amino-4-methylpentan-2-yl)-5-methyl-1,2-oxazole-3-carboxamide
CID 63888339

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-4-methylpentan-2-yl)-3-methyl-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide;hydrochloride?
The IUPAC name of N-(1-amino-4-methylpentan-2-yl)-3-methyl-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide;hydrochloride (CID 119586431) is N-(1-amino-4-methylpentan-2-yl)-3-methyl-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide;hydrochloride.
What is the SMILES notation for N-(1-amino-4-methylpentan-2-yl)-3-methyl-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide;hydrochloride?
The canonical SMILES for N-(1-amino-4-methylpentan-2-yl)-3-methyl-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide;hydrochloride is Cc1noc2nc(C(C)C)cc(C(=O)NC(CN)CC(C)C)c12.Cl.
What is the InChIKey of N-(1-amino-4-methylpentan-2-yl)-3-methyl-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide;hydrochloride?
The InChIKey is HMIFVIGYRRZBDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O2.ClH/c1-9(2)6-12(8-18)19-16(22)13-7-14(10(3)4)20-17-15(13)11(5)21-23-17;/h7,9-10,12H,6,8,18H2,1-5H3,(H,19,22);1H.
What are the key properties of N-(1-amino-4-methylpentan-2-yl)-3-methyl-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide;hydrochloride?
N-(1-amino-4-methylpentan-2-yl)-3-methyl-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide;hydrochloride has a molecular weight of 354.88 g/mol, XLogP of 3.18, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-4-methylpentan-2-yl)-3-methyl-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide;hydrochloride is sourced from PubChem (CID 119586431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).