N-methyl-2-[5-[[1-([1,3]oxazolo[4,5-b]pyridin-2-yl)piperidin-3-yl]methyl]-1-propyl-1,2,4-triazol-3-yl]acetamide

C20H27N7O2 — CID 146045024

IUPACN-methyl-2-[5-[[1-([1,3]oxazolo[4,5-b]pyridin-2-yl)piperidin-3-yl]methyl]-1-propyl-1,2,4-triazol-3-yl]acetamide
SMILESCCCn1nc(CC(=O)NC)nc1CC1CCCN(c2nc3ncccc3o2)C1
InChIInChI=1S/C20H27N7O2/c1-3-9-27-17(23-16(25-27)12-18(28)21-2)11-14-6-5-10-26(13-14)20-24-19-15(29-20)7-4-8-22-19/h4,7-8,14H,3,5-6,9-13H2,1-2H3,(H,21,28)
InChIKeyCKMBPNUWKGCKQB-UHFFFAOYSA-N
MW397.48 g/mol
LogP1.97
Rot. Bonds7

About N-methyl-2-[5-[[1-([1,3]oxazolo[4,5-b]pyridin-2-yl)piperidin-3-yl]methyl]-1-propyl-1,2,4-triazol-3-yl]acetamide

N-methyl-2-[5-[[1-([1,3]oxazolo[4,5-b]pyridin-2-yl)piperidin-3-yl]methyl]-1-propyl-1,2,4-triazol-3-yl]acetamide (PubChem CID 146045024) has the molecular formula C20H27N7O2 and a molecular weight of 397.48 g/mol. Its IUPAC name is N-methyl-2-[5-[[1-([1,3]oxazolo[4,5-b]pyridin-2-yl)piperidin-3-yl]methyl]-1-propyl-1,2,4-triazol-3-yl]acetamide.

Molecular Properties

Compound NameN-methyl-2-[5-[[1-([1,3]oxazolo[4,5-b]pyridin-2-yl)piperidin-3-yl]methyl]-1-propyl-1,2,4-triazol-3-yl]acetamide
PubChem CID146045024
Molecular FormulaC20H27N7O2
Molecular Weight397.48 g/mol
Exact Mass397.22
IUPAC NameN-methyl-2-[5-[[1-([1,3]oxazolo[4,5-b]pyridin-2-yl)piperidin-3-yl]methyl]-1-propyl-1,2,4-triazol-3-yl]acetamide
SMILESCCCn1nc(CC(=O)NC)nc1CC1CCCN(c2nc3ncccc3o2)C1
InChIInChI=1S/C20H27N7O2/c1-3-9-27-17(23-16(25-27)12-18(28)21-2)11-14-6-5-10-26(13-14)20-24-19-15(29-20)7-4-8-22-19/h4,7-8,14H,3,5-6,9-13H2,1-2H3,(H,21,28)
InChIKeyCKMBPNUWKGCKQB-UHFFFAOYSA-N
XLogP1.97
TPSA101.97 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.48
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[5-[[1-([1,3]oxazolo[4,5-b]pyridin-2-yl)piperidin-3-yl]methyl]-1-propyl-1,2,4-triazol-3-yl]acetamide?
The IUPAC name of N-methyl-2-[5-[[1-([1,3]oxazolo[4,5-b]pyridin-2-yl)piperidin-3-yl]methyl]-1-propyl-1,2,4-triazol-3-yl]acetamide (CID 146045024) is N-methyl-2-[5-[[1-([1,3]oxazolo[4,5-b]pyridin-2-yl)piperidin-3-yl]methyl]-1-propyl-1,2,4-triazol-3-yl]acetamide.
What is the SMILES notation for N-methyl-2-[5-[[1-([1,3]oxazolo[4,5-b]pyridin-2-yl)piperidin-3-yl]methyl]-1-propyl-1,2,4-triazol-3-yl]acetamide?
The canonical SMILES for N-methyl-2-[5-[[1-([1,3]oxazolo[4,5-b]pyridin-2-yl)piperidin-3-yl]methyl]-1-propyl-1,2,4-triazol-3-yl]acetamide is CCCn1nc(CC(=O)NC)nc1CC1CCCN(c2nc3ncccc3o2)C1.
What is the InChIKey of N-methyl-2-[5-[[1-([1,3]oxazolo[4,5-b]pyridin-2-yl)piperidin-3-yl]methyl]-1-propyl-1,2,4-triazol-3-yl]acetamide?
The InChIKey is CKMBPNUWKGCKQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N7O2/c1-3-9-27-17(23-16(25-27)12-18(28)21-2)11-14-6-5-10-26(13-14)20-24-19-15(29-20)7-4-8-22-19/h4,7-8,14H,3,5-6,9-13H2,1-2H3,(H,21,28).
What are the key properties of N-methyl-2-[5-[[1-([1,3]oxazolo[4,5-b]pyridin-2-yl)piperidin-3-yl]methyl]-1-propyl-1,2,4-triazol-3-yl]acetamide?
N-methyl-2-[5-[[1-([1,3]oxazolo[4,5-b]pyridin-2-yl)piperidin-3-yl]methyl]-1-propyl-1,2,4-triazol-3-yl]acetamide has a molecular weight of 397.48 g/mol, XLogP of 1.97, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[5-[[1-([1,3]oxazolo[4,5-b]pyridin-2-yl)piperidin-3-yl]methyl]-1-propyl-1,2,4-triazol-3-yl]acetamide is sourced from PubChem (CID 146045024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).