3,6-dimethyl-N-[3-(2-methylpiperidin-1-yl)propyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide

C18H26N4O2 — CID 51112115

IUPAC3,6-dimethyl-N-[3-(2-methylpiperidin-1-yl)propyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
SMILESCc1cc(C(=O)NCCCN2CCCCC2C)c2c(C)noc2n1
InChIInChI=1S/C18H26N4O2/c1-12-11-15(16-14(3)21-24-18(16)20-12)17(23)19-8-6-10-22-9-5-4-7-13(22)2/h11,13H,4-10H2,1-3H3,(H,19,23)
InChIKeyRQNKNIYBKUSMNC-UHFFFAOYSA-N
MW330.43 g/mol
LogP2.83
Rot. Bonds5

About 3,6-dimethyl-N-[3-(2-methylpiperidin-1-yl)propyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide

3,6-dimethyl-N-[3-(2-methylpiperidin-1-yl)propyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 51112115) has the molecular formula C18H26N4O2 and a molecular weight of 330.43 g/mol. Its IUPAC name is 3,6-dimethyl-N-[3-(2-methylpiperidin-1-yl)propyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound Name3,6-dimethyl-N-[3-(2-methylpiperidin-1-yl)propyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
PubChem CID51112115
Molecular FormulaC18H26N4O2
Molecular Weight330.43 g/mol
Exact Mass330.21
IUPAC Name3,6-dimethyl-N-[3-(2-methylpiperidin-1-yl)propyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
SMILESCc1cc(C(=O)NCCCN2CCCCC2C)c2c(C)noc2n1
InChIInChI=1S/C18H26N4O2/c1-12-11-15(16-14(3)21-24-18(16)20-12)17(23)19-8-6-10-22-9-5-4-7-13(22)2/h11,13H,4-10H2,1-3H3,(H,19,23)
InChIKeyRQNKNIYBKUSMNC-UHFFFAOYSA-N
XLogP2.83
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(cyclopropylmethoxy)propyl]-3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 18133288
1-(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)-N-[3-(2-methylpiperidin-1-yl)propyl]piperidine-4-carboxamide
CID 20929284
N-(5-hydroxypentyl)-3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 107318381
3,6-dichloro-N-[3-(2-methylpiperidin-1-yl)propyl]pyridine-2-carboxamide
CID 43080560
2-fluoro-3-methyl-N-[3-(2-methylpiperidin-1-yl)propyl]benzamide
CID 80710568
N-[3-[(2S)-2-methylpiperidin-1-yl]propyl]-2-oxochromene-3-carboxamide
CID 9472621
3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[3-[(2S)-2-methylpiperidin-1-yl]propyl]benzamide
CID 9472943
3-methyl-N-[3-(2-methylpiperidin-1-yl)propyl]-[1,2]oxazolo[5,4-d]pyrimidin-4-amine
CID 20924743
2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]-N-[3-(2-methylpiperidin-1-yl)propyl]pyridine-3-carboxamide
CID 51255908
3,4-dichloro-N-[3-[(2S)-2-methylpiperidin-1-yl]propyl]benzamide
CID 9473209
N-[3-(2-methylpiperidin-1-yl)propyl]benzamide
CID 60668475
4-fluoro-2-iodo-N-[3-(2-methylpiperidin-1-yl)propyl]benzamide
CID 47040952

Frequently Asked Questions

What is the IUPAC name of 3,6-dimethyl-N-[3-(2-methylpiperidin-1-yl)propyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The IUPAC name of 3,6-dimethyl-N-[3-(2-methylpiperidin-1-yl)propyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide (CID 51112115) is 3,6-dimethyl-N-[3-(2-methylpiperidin-1-yl)propyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide.
What is the SMILES notation for 3,6-dimethyl-N-[3-(2-methylpiperidin-1-yl)propyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The canonical SMILES for 3,6-dimethyl-N-[3-(2-methylpiperidin-1-yl)propyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide is Cc1cc(C(=O)NCCCN2CCCCC2C)c2c(C)noc2n1.
What is the InChIKey of 3,6-dimethyl-N-[3-(2-methylpiperidin-1-yl)propyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The InChIKey is RQNKNIYBKUSMNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O2/c1-12-11-15(16-14(3)21-24-18(16)20-12)17(23)19-8-6-10-22-9-5-4-7-13(22)2/h11,13H,4-10H2,1-3H3,(H,19,23).
What are the key properties of 3,6-dimethyl-N-[3-(2-methylpiperidin-1-yl)propyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
3,6-dimethyl-N-[3-(2-methylpiperidin-1-yl)propyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 330.43 g/mol, XLogP of 2.83, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dimethyl-N-[3-(2-methylpiperidin-1-yl)propyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 51112115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).