N,N-dimethyl-2-[2-methyl-2-(3-methylpyrazolo[1,5-a]pyridin-6-yl)propoxy]acetamide;ethane

C18H29N3O2 — CID 155727269

IUPACN,N-dimethyl-2-[2-methyl-2-(3-methylpyrazolo[1,5-a]pyridin-6-yl)propoxy]acetamide;ethane
SMILESCC.Cc1cnn2cc(C(C)(C)COCC(=O)N(C)C)ccc12
InChIInChI=1S/C16H23N3O2.C2H6/c1-12-8-17-19-9-13(6-7-14(12)19)16(2,3)11-21-10-15(20)18(4)5;1-2/h6-9H,10-11H2,1-5H3;1-2H3
InChIKeyCRTYTTJRNLOUFH-UHFFFAOYSA-N
MW319.45 g/mol
LogP3.05
Rot. Bonds5

About N,N-dimethyl-2-[2-methyl-2-(3-methylpyrazolo[1,5-a]pyridin-6-yl)propoxy]acetamide;ethane

N,N-dimethyl-2-[2-methyl-2-(3-methylpyrazolo[1,5-a]pyridin-6-yl)propoxy]acetamide;ethane (PubChem CID 155727269) has the molecular formula C18H29N3O2 and a molecular weight of 319.45 g/mol. Its IUPAC name is N,N-dimethyl-2-[2-methyl-2-(3-methylpyrazolo[1,5-a]pyridin-6-yl)propoxy]acetamide;ethane.

Molecular Properties

Compound NameN,N-dimethyl-2-[2-methyl-2-(3-methylpyrazolo[1,5-a]pyridin-6-yl)propoxy]acetamide;ethane
PubChem CID155727269
Molecular FormulaC18H29N3O2
Molecular Weight319.45 g/mol
Exact Mass319.23
IUPAC NameN,N-dimethyl-2-[2-methyl-2-(3-methylpyrazolo[1,5-a]pyridin-6-yl)propoxy]acetamide;ethane
SMILESCC.Cc1cnn2cc(C(C)(C)COCC(=O)N(C)C)ccc12
InChIInChI=1S/C16H23N3O2.C2H6/c1-12-8-17-19-9-13(6-7-14(12)19)16(2,3)11-21-10-15(20)18(4)5;1-2/h6-9H,10-11H2,1-5H3;1-2H3
InChIKeyCRTYTTJRNLOUFH-UHFFFAOYSA-N
XLogP3.05
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.45
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[2-methyl-2-(3-methylpyrazolo[1,5-a]pyridin-6-yl)propoxy]acetamide;ethane?
The IUPAC name of N,N-dimethyl-2-[2-methyl-2-(3-methylpyrazolo[1,5-a]pyridin-6-yl)propoxy]acetamide;ethane (CID 155727269) is N,N-dimethyl-2-[2-methyl-2-(3-methylpyrazolo[1,5-a]pyridin-6-yl)propoxy]acetamide;ethane.
What is the SMILES notation for N,N-dimethyl-2-[2-methyl-2-(3-methylpyrazolo[1,5-a]pyridin-6-yl)propoxy]acetamide;ethane?
The canonical SMILES for N,N-dimethyl-2-[2-methyl-2-(3-methylpyrazolo[1,5-a]pyridin-6-yl)propoxy]acetamide;ethane is CC.Cc1cnn2cc(C(C)(C)COCC(=O)N(C)C)ccc12.
What is the InChIKey of N,N-dimethyl-2-[2-methyl-2-(3-methylpyrazolo[1,5-a]pyridin-6-yl)propoxy]acetamide;ethane?
The InChIKey is CRTYTTJRNLOUFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2.C2H6/c1-12-8-17-19-9-13(6-7-14(12)19)16(2,3)11-21-10-15(20)18(4)5;1-2/h6-9H,10-11H2,1-5H3;1-2H3.
What are the key properties of N,N-dimethyl-2-[2-methyl-2-(3-methylpyrazolo[1,5-a]pyridin-6-yl)propoxy]acetamide;ethane?
N,N-dimethyl-2-[2-methyl-2-(3-methylpyrazolo[1,5-a]pyridin-6-yl)propoxy]acetamide;ethane has a molecular weight of 319.45 g/mol, XLogP of 3.05, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[2-methyl-2-(3-methylpyrazolo[1,5-a]pyridin-6-yl)propoxy]acetamide;ethane is sourced from PubChem (CID 155727269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).