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

C21H26N4O3 — CID 119610903

IUPACN-[2-(aminomethyl)cyclohexyl]-6-(2,5-dimethylfuran-3-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
SMILESCc1cc(-c2cc(C(=O)NC3CCCCC3CN)c3c(C)noc3n2)c(C)o1
InChIInChI=1S/C21H26N4O3/c1-11-8-15(13(3)27-11)18-9-16(19-12(2)25-28-21(19)24-18)20(26)23-17-7-5-4-6-14(17)10-22/h8-9,14,17H,4-7,10,22H2,1-3H3,(H,23,26)
InChIKeyIPEUIBVAKYGUJH-UHFFFAOYSA-N
MW382.46 g/mol
LogP3.66
Rot. Bonds4

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

N-[2-(aminomethyl)cyclohexyl]-6-(2,5-dimethylfuran-3-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 119610903) has the molecular formula C21H26N4O3 and a molecular weight of 382.46 g/mol. Its IUPAC name is N-[2-(aminomethyl)cyclohexyl]-6-(2,5-dimethylfuran-3-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[2-(aminomethyl)cyclohexyl]-6-(2,5-dimethylfuran-3-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
PubChem CID119610903
Molecular FormulaC21H26N4O3
Molecular Weight382.46 g/mol
Exact Mass382.20
IUPAC NameN-[2-(aminomethyl)cyclohexyl]-6-(2,5-dimethylfuran-3-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
SMILESCc1cc(-c2cc(C(=O)NC3CCCCC3CN)c3c(C)noc3n2)c(C)o1
InChIInChI=1S/C21H26N4O3/c1-11-8-15(13(3)27-11)18-9-16(19-12(2)25-28-21(19)24-18)20(26)23-17-7-5-4-6-14(17)10-22/h8-9,14,17H,4-7,10,22H2,1-3H3,(H,23,26)
InChIKeyIPEUIBVAKYGUJH-UHFFFAOYSA-N
XLogP3.66
TPSA107.18 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.46
LogP ≤ 53.66
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-3-yl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 120576654
N-[2-(aminomethyl)cyclopentyl]-3-methyl-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 119601937
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
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)-3-methyl-N-piperidin-4-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide;hydrochloride
CID 119388168
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)-N-methoxy-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 33103458
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)-3-methyl-N-[1-(3-methylbut-2-enyl)piperidin-4-yl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 56568829
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
1-[6-(2,5-dimethylfuran-3-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl]piperidine-4-carboxamide
CID 46697274

Frequently Asked Questions

What is the IUPAC name of N-[2-(aminomethyl)cyclohexyl]-6-(2,5-dimethylfuran-3-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The IUPAC name of N-[2-(aminomethyl)cyclohexyl]-6-(2,5-dimethylfuran-3-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide (CID 119610903) is N-[2-(aminomethyl)cyclohexyl]-6-(2,5-dimethylfuran-3-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide.
What is the SMILES notation for N-[2-(aminomethyl)cyclohexyl]-6-(2,5-dimethylfuran-3-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The canonical SMILES for N-[2-(aminomethyl)cyclohexyl]-6-(2,5-dimethylfuran-3-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide is Cc1cc(-c2cc(C(=O)NC3CCCCC3CN)c3c(C)noc3n2)c(C)o1.
What is the InChIKey of N-[2-(aminomethyl)cyclohexyl]-6-(2,5-dimethylfuran-3-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The InChIKey is IPEUIBVAKYGUJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O3/c1-11-8-15(13(3)27-11)18-9-16(19-12(2)25-28-21(19)24-18)20(26)23-17-7-5-4-6-14(17)10-22/h8-9,14,17H,4-7,10,22H2,1-3H3,(H,23,26).
What are the key properties of N-[2-(aminomethyl)cyclohexyl]-6-(2,5-dimethylfuran-3-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
N-[2-(aminomethyl)cyclohexyl]-6-(2,5-dimethylfuran-3-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 382.46 g/mol, XLogP of 3.66, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(aminomethyl)cyclohexyl]-6-(2,5-dimethylfuran-3-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 119610903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).