N-(3-amino-2,2-dimethylpropyl)-N,3-dimethyl-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide;hydrochloride

C14H21ClN4O2 — CID 119653778

IUPACN-(3-amino-2,2-dimethylpropyl)-N,3-dimethyl-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide;hydrochloride
SMILESCc1noc2ncc(C(=O)N(C)CC(C)(C)CN)cc12.Cl
InChIInChI=1S/C14H20N4O2.ClH/c1-9-11-5-10(6-16-12(11)20-17-9)13(19)18(4)8-14(2,3)7-15;/h5-6H,7-8,15H2,1-4H3;1H
InChIKeyGYDBCRFNVZETLD-UHFFFAOYSA-N
MW312.80 g/mol
LogP2.01
Rot. Bonds4

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

N-(3-amino-2,2-dimethylpropyl)-N,3-dimethyl-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide;hydrochloride (PubChem CID 119653778) has the molecular formula C14H21ClN4O2 and a molecular weight of 312.80 g/mol. Its IUPAC name is N-(3-amino-2,2-dimethylpropyl)-N,3-dimethyl-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(3-amino-2,2-dimethylpropyl)-N,3-dimethyl-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide;hydrochloride
PubChem CID119653778
Molecular FormulaC14H21ClN4O2
Molecular Weight312.80 g/mol
Exact Mass312.14
IUPAC NameN-(3-amino-2,2-dimethylpropyl)-N,3-dimethyl-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide;hydrochloride
SMILESCc1noc2ncc(C(=O)N(C)CC(C)(C)CN)cc12.Cl
InChIInChI=1S/C14H20N4O2.ClH/c1-9-11-5-10(6-16-12(11)20-17-9)13(19)18(4)8-14(2,3)7-15;/h5-6H,7-8,15H2,1-4H3;1H
InChIKeyGYDBCRFNVZETLD-UHFFFAOYSA-N
XLogP2.01
TPSA85.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.80
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(3-amino-2,2-dimethylpropyl)-N,3-dimethyl-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide;hydrochloride with MolForge

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Related Compounds

N-(3-amino-2,2-dimethylpropyl)-N,3-dimethyl-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide
CID 119653779
N-(2-amino-2-methylpropyl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide;hydrochloride
CID 119627151
2-[tert-butyl-(3-methyl-[1,2]oxazolo[5,4-b]pyridine-5-carbonyl)amino]acetic acid
CID 79265302
N-(3-amino-2,2-dimethylpropyl)-N,6-dimethylpyridine-3-carboxamide
CID 79652120
N-butan-2-yl-N,3-dimethyl-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide
CID 56684520
N,N-bis(2-hydroxyethyl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide
CID 61236027
N-(3-amino-2,2-dimethylpropyl)-3,4,5-triethoxy-N-methylbenzamide
CID 119653583
N-(3-amino-2,2-dimethylpropyl)-N-methylpyridine-4-carboxamide;dihydrochloride
CID 119653576
N-(3-amino-2,2-dimethylpropyl)-3,5-dichloro-N-methylbenzamide
CID 79653062
N-(3-amino-2,2-dimethylpropyl)-N-methyl-4-(4-methylpyrazol-1-yl)benzamide;hydrochloride
CID 119653973
N-(3-amino-2,2-dimethylpropyl)-6-cyclopropyl-N,3-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 119656768
N-(5-hydroxy-2,2-dimethylpentyl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide
CID 103899308

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2,2-dimethylpropyl)-N,3-dimethyl-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide;hydrochloride?
The IUPAC name of N-(3-amino-2,2-dimethylpropyl)-N,3-dimethyl-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide;hydrochloride (CID 119653778) is N-(3-amino-2,2-dimethylpropyl)-N,3-dimethyl-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide;hydrochloride.
What is the SMILES notation for N-(3-amino-2,2-dimethylpropyl)-N,3-dimethyl-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide;hydrochloride?
The canonical SMILES for N-(3-amino-2,2-dimethylpropyl)-N,3-dimethyl-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide;hydrochloride is Cc1noc2ncc(C(=O)N(C)CC(C)(C)CN)cc12.Cl.
What is the InChIKey of N-(3-amino-2,2-dimethylpropyl)-N,3-dimethyl-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide;hydrochloride?
The InChIKey is GYDBCRFNVZETLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O2.ClH/c1-9-11-5-10(6-16-12(11)20-17-9)13(19)18(4)8-14(2,3)7-15;/h5-6H,7-8,15H2,1-4H3;1H.
What are the key properties of N-(3-amino-2,2-dimethylpropyl)-N,3-dimethyl-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide;hydrochloride?
N-(3-amino-2,2-dimethylpropyl)-N,3-dimethyl-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide;hydrochloride has a molecular weight of 312.80 g/mol, XLogP of 2.01, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-2,2-dimethylpropyl)-N,3-dimethyl-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide;hydrochloride is sourced from PubChem (CID 119653778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).