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

C18H28N4O3 — CID 78865541

IUPACN-[3-[2-methoxyethyl(methyl)amino]propyl]-3-methyl-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
SMILESCOCCN(C)CCCNC(=O)c1cc(C(C)C)nc2onc(C)c12
InChIInChI=1S/C18H28N4O3/c1-12(2)15-11-14(16-13(3)21-25-18(16)20-15)17(23)19-7-6-8-22(4)9-10-24-5/h11-12H,6-10H2,1-5H3,(H,19,23)
InChIKeyBCWKFIHCRQQVIN-UHFFFAOYSA-N
MW348.45 g/mol
LogP2.35
Rot. Bonds9

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

N-[3-[2-methoxyethyl(methyl)amino]propyl]-3-methyl-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 78865541) has the molecular formula C18H28N4O3 and a molecular weight of 348.45 g/mol. Its IUPAC name is N-[3-[2-methoxyethyl(methyl)amino]propyl]-3-methyl-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[3-[2-methoxyethyl(methyl)amino]propyl]-3-methyl-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
PubChem CID78865541
Molecular FormulaC18H28N4O3
Molecular Weight348.45 g/mol
Exact Mass348.22
IUPAC NameN-[3-[2-methoxyethyl(methyl)amino]propyl]-3-methyl-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
SMILESCOCCN(C)CCCNC(=O)c1cc(C(C)C)nc2onc(C)c12
InChIInChI=1S/C18H28N4O3/c1-12(2)15-11-14(16-13(3)21-25-18(16)20-15)17(23)19-7-6-8-22(4)9-10-24-5/h11-12H,6-10H2,1-5H3,(H,19,23)
InChIKeyBCWKFIHCRQQVIN-UHFFFAOYSA-N
XLogP2.35
TPSA80.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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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-methoxy-N,3-dimethyl-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 78836038
N-[[2-(methoxymethyl)phenyl]methyl]-3-methyl-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 78852990
N-[2-(4-aminophenyl)ethyl]-3-methyl-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 119548126
N-(2-amino-2-methylpropyl)-3-methyl-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide;hydrochloride
CID 119627163
4-[methyl-(3-methyl-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl)amino]butanoic acid
CID 119347045
N-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-3-methyl-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 87040944
N-butyl-N-ethyl-3-methyl-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 78836039
N-ethyl-N-(2-hydroxyethyl)-3-methyl-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 78855535
3-methyl-N-(2-oxo-2-piperidin-1-ylethyl)-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 78899618
3-methyl-6-propan-2-yl-N-(thiophen-2-ylmethyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 78831688
3-methyl-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylic acid
CID 9391694

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-methoxyethyl(methyl)amino]propyl]-3-methyl-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The IUPAC name of N-[3-[2-methoxyethyl(methyl)amino]propyl]-3-methyl-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide (CID 78865541) is N-[3-[2-methoxyethyl(methyl)amino]propyl]-3-methyl-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide.
What is the SMILES notation for N-[3-[2-methoxyethyl(methyl)amino]propyl]-3-methyl-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The canonical SMILES for N-[3-[2-methoxyethyl(methyl)amino]propyl]-3-methyl-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide is COCCN(C)CCCNC(=O)c1cc(C(C)C)nc2onc(C)c12.
What is the InChIKey of N-[3-[2-methoxyethyl(methyl)amino]propyl]-3-methyl-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The InChIKey is BCWKFIHCRQQVIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N4O3/c1-12(2)15-11-14(16-13(3)21-25-18(16)20-15)17(23)19-7-6-8-22(4)9-10-24-5/h11-12H,6-10H2,1-5H3,(H,19,23).
What are the key properties of N-[3-[2-methoxyethyl(methyl)amino]propyl]-3-methyl-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
N-[3-[2-methoxyethyl(methyl)amino]propyl]-3-methyl-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 348.45 g/mol, XLogP of 2.35, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-methoxyethyl(methyl)amino]propyl]-3-methyl-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 78865541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).