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

C20H24N4O3 — CID 119574148

IUPACN-(1-amino-2-cyclopropylpropan-2-yl)-6-(2,5-dimethylfuran-3-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
SMILESCc1cc(-c2cc(C(=O)NC(C)(CN)C3CC3)c3c(C)noc3n2)c(C)o1
InChIInChI=1S/C20H24N4O3/c1-10-7-14(12(3)26-10)16-8-15(17-11(2)24-27-19(17)22-16)18(25)23-20(4,9-21)13-5-6-13/h7-8,13H,5-6,9,21H2,1-4H3,(H,23,25)
InChIKeyYCNXPKWPPCAGDV-UHFFFAOYSA-N
MW368.44 g/mol
LogP3.27
Rot. Bonds5

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

N-(1-amino-2-cyclopropylpropan-2-yl)-6-(2,5-dimethylfuran-3-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 119574148) has the molecular formula C20H24N4O3 and a molecular weight of 368.44 g/mol. Its IUPAC name is N-(1-amino-2-cyclopropylpropan-2-yl)-6-(2,5-dimethylfuran-3-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-(1-amino-2-cyclopropylpropan-2-yl)-6-(2,5-dimethylfuran-3-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
PubChem CID119574148
Molecular FormulaC20H24N4O3
Molecular Weight368.44 g/mol
Exact Mass368.18
IUPAC NameN-(1-amino-2-cyclopropylpropan-2-yl)-6-(2,5-dimethylfuran-3-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
SMILESCc1cc(-c2cc(C(=O)NC(C)(CN)C3CC3)c3c(C)noc3n2)c(C)o1
InChIInChI=1S/C20H24N4O3/c1-10-7-14(12(3)26-10)16-8-15(17-11(2)24-27-19(17)22-16)18(25)23-20(4,9-21)13-5-6-13/h7-8,13H,5-6,9,21H2,1-4H3,(H,23,25)
InChIKeyYCNXPKWPPCAGDV-UHFFFAOYSA-N
XLogP3.27
TPSA107.18 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.44
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

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
N-(2-aminoethyl)-6-(2,5-dimethylfuran-3-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 119383829
N-[2-(aminomethyl)cyclohexyl]-6-(2,5-dimethylfuran-3-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 119610903
6-(2,5-dimethylfuran-3-yl)-N-methoxy-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 33103458
6-(2,5-dimethylfuran-3-yl)-3-methyl-N-(oxan-2-yloxy)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 51130599
6-(2,5-dimethylfuran-3-yl)-3-methyl-N-piperidin-4-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide;hydrochloride
CID 119388168
2-[[6-(2,5-dimethylfuran-3-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl]amino]propanoic acid
CID 119349124
3-[[6-(2,5-dimethylfuran-3-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl]amino]propanoic acid
CID 119351483
N-(1-aminohexan-2-yl)-6-(2,5-dimethylfuran-3-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 119666847
6-(2,5-dimethylfuran-3-yl)-3-methyl-N-(2-methylpiperidin-3-yl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 120576654
N-(1-amino-2-methylpropan-2-yl)-6-cyclopropyl-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 119524902
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

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-2-cyclopropylpropan-2-yl)-6-(2,5-dimethylfuran-3-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The IUPAC name of 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) is N-(1-amino-2-cyclopropylpropan-2-yl)-6-(2,5-dimethylfuran-3-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide.
What is the SMILES notation for N-(1-amino-2-cyclopropylpropan-2-yl)-6-(2,5-dimethylfuran-3-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The canonical SMILES for N-(1-amino-2-cyclopropylpropan-2-yl)-6-(2,5-dimethylfuran-3-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide is Cc1cc(-c2cc(C(=O)NC(C)(CN)C3CC3)c3c(C)noc3n2)c(C)o1.
What is the InChIKey of N-(1-amino-2-cyclopropylpropan-2-yl)-6-(2,5-dimethylfuran-3-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The InChIKey is YCNXPKWPPCAGDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O3/c1-10-7-14(12(3)26-10)16-8-15(17-11(2)24-27-19(17)22-16)18(25)23-20(4,9-21)13-5-6-13/h7-8,13H,5-6,9,21H2,1-4H3,(H,23,25).
What are the key properties of N-(1-amino-2-cyclopropylpropan-2-yl)-6-(2,5-dimethylfuran-3-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
N-(1-amino-2-cyclopropylpropan-2-yl)-6-(2,5-dimethylfuran-3-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 368.44 g/mol, XLogP of 3.27, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-2-cyclopropylpropan-2-yl)-6-(2,5-dimethylfuran-3-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 119574148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).