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

C19H23ClN4O3 — CID 119388168

IUPAC6-(2,5-dimethylfuran-3-yl)-3-methyl-N-piperidin-4-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide;hydrochloride
SMILESCc1cc(-c2cc(C(=O)NC3CCNCC3)c3c(C)noc3n2)c(C)o1.Cl
InChIInChI=1S/C19H22N4O3.ClH/c1-10-8-14(12(3)25-10)16-9-15(17-11(2)23-26-19(17)22-16)18(24)21-13-4-6-20-7-5-13;/h8-9,13,20H,4-7H2,1-3H3,(H,21,24);1H
InChIKeySHEKNPPWAOZBER-UHFFFAOYSA-N
MW390.87 g/mol
LogP3.31
Rot. Bonds3

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

6-(2,5-dimethylfuran-3-yl)-3-methyl-N-piperidin-4-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide;hydrochloride (PubChem CID 119388168) has the molecular formula C19H23ClN4O3 and a molecular weight of 390.87 g/mol. Its IUPAC name is 6-(2,5-dimethylfuran-3-yl)-3-methyl-N-piperidin-4-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide;hydrochloride.

Molecular Properties

Compound Name6-(2,5-dimethylfuran-3-yl)-3-methyl-N-piperidin-4-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide;hydrochloride
PubChem CID119388168
Molecular FormulaC19H23ClN4O3
Molecular Weight390.87 g/mol
Exact Mass390.15
IUPAC Name6-(2,5-dimethylfuran-3-yl)-3-methyl-N-piperidin-4-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide;hydrochloride
SMILESCc1cc(-c2cc(C(=O)NC3CCNCC3)c3c(C)noc3n2)c(C)o1.Cl
InChIInChI=1S/C19H22N4O3.ClH/c1-10-8-14(12(3)25-10)16-9-15(17-11(2)23-26-19(17)22-16)18(24)21-13-4-6-20-7-5-13;/h8-9,13,20H,4-7H2,1-3H3,(H,21,24);1H
InChIKeySHEKNPPWAOZBER-UHFFFAOYSA-N
XLogP3.31
TPSA93.19 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.87
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

6-(2,5-dimethylfuran-3-yl)-3-methyl-N-(2-methylpiperidin-4-yl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide;hydrochloride
CID 120601204
6-(2,5-dimethylfuran-3-yl)-N,3-dimethyl-N-piperidin-4-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 119442897
6-(2,5-dimethylfuran-3-yl)-3-methyl-N-(2-methylpiperidin-3-yl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 120576654
3,6-dimethyl-N-piperidin-4-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 119388173
6-(2,5-dimethylfuran-3-yl)-3-methyl-N-[1-(3-methylbut-2-enyl)piperidin-4-yl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 56568829
N-[2-(aminomethyl)cyclohexyl]-6-(2,5-dimethylfuran-3-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 119610903
N-(2-aminoethyl)-6-(2,5-dimethylfuran-3-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 119383829
6-(2,5-dimethylfuran-3-yl)-N-methoxy-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 33103458
3-[[6-(2,5-dimethylfuran-3-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl]amino]propanoic acid
CID 119351483
[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-[6-(2,5-dimethylfuran-3-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridin-4-yl]methanone;hydrochloride
CID 120660139
2-[[6-(2,5-dimethylfuran-3-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl]amino]propanoic acid
CID 119349124
N-(1-amino-2-cyclopropylpropan-2-yl)-6-(2,5-dimethylfuran-3-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 119574148

Frequently Asked Questions

What is the IUPAC name of 6-(2,5-dimethylfuran-3-yl)-3-methyl-N-piperidin-4-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide;hydrochloride?
The IUPAC name of 6-(2,5-dimethylfuran-3-yl)-3-methyl-N-piperidin-4-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide;hydrochloride (CID 119388168) is 6-(2,5-dimethylfuran-3-yl)-3-methyl-N-piperidin-4-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide;hydrochloride.
What is the SMILES notation for 6-(2,5-dimethylfuran-3-yl)-3-methyl-N-piperidin-4-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide;hydrochloride?
The canonical SMILES for 6-(2,5-dimethylfuran-3-yl)-3-methyl-N-piperidin-4-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide;hydrochloride is Cc1cc(-c2cc(C(=O)NC3CCNCC3)c3c(C)noc3n2)c(C)o1.Cl.
What is the InChIKey of 6-(2,5-dimethylfuran-3-yl)-3-methyl-N-piperidin-4-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide;hydrochloride?
The InChIKey is SHEKNPPWAOZBER-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O3.ClH/c1-10-8-14(12(3)25-10)16-9-15(17-11(2)23-26-19(17)22-16)18(24)21-13-4-6-20-7-5-13;/h8-9,13,20H,4-7H2,1-3H3,(H,21,24);1H.
What are the key properties of 6-(2,5-dimethylfuran-3-yl)-3-methyl-N-piperidin-4-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide;hydrochloride?
6-(2,5-dimethylfuran-3-yl)-3-methyl-N-piperidin-4-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide;hydrochloride has a molecular weight of 390.87 g/mol, XLogP of 3.31, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,5-dimethylfuran-3-yl)-3-methyl-N-piperidin-4-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide;hydrochloride is sourced from PubChem (CID 119388168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).