ethyl N-[7-[methyl-(1-methylpiperidin-4-yl)amino]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]carbamate

C16H24N6O2 — CID 110455486

IUPACethyl N-[7-[methyl-(1-methylpiperidin-4-yl)amino]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]carbamate
SMILESCCOC(=O)Nc1nc2cc(N(C)C3CCN(C)CC3)ccn2n1
InChIInChI=1S/C16H24N6O2/c1-4-24-16(23)18-15-17-14-11-13(7-10-22(14)19-15)21(3)12-5-8-20(2)9-6-12/h7,10-12H,4-6,8-9H2,1-3H3,(H,18,19,23)
InChIKeyYEGSEGAZDBVWHO-UHFFFAOYSA-N
MW332.41 g/mol
LogP1.83
Rot. Bonds4

About ethyl N-[7-[methyl-(1-methylpiperidin-4-yl)amino]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]carbamate

ethyl N-[7-[methyl-(1-methylpiperidin-4-yl)amino]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]carbamate (PubChem CID 110455486) has the molecular formula C16H24N6O2 and a molecular weight of 332.41 g/mol. Its IUPAC name is ethyl N-[7-[methyl-(1-methylpiperidin-4-yl)amino]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]carbamate.

Molecular Properties

Compound Nameethyl N-[7-[methyl-(1-methylpiperidin-4-yl)amino]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]carbamate
PubChem CID110455486
Molecular FormulaC16H24N6O2
Molecular Weight332.41 g/mol
Exact Mass332.20
IUPAC Nameethyl N-[7-[methyl-(1-methylpiperidin-4-yl)amino]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]carbamate
SMILESCCOC(=O)Nc1nc2cc(N(C)C3CCN(C)CC3)ccn2n1
InChIInChI=1S/C16H24N6O2/c1-4-24-16(23)18-15-17-14-11-13(7-10-22(14)19-15)21(3)12-5-8-20(2)9-6-12/h7,10-12H,4-6,8-9H2,1-3H3,(H,18,19,23)
InChIKeyYEGSEGAZDBVWHO-UHFFFAOYSA-N
XLogP1.83
TPSA75.00 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.41
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of ethyl N-[7-[methyl-(1-methylpiperidin-4-yl)amino]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]carbamate?
The IUPAC name of ethyl N-[7-[methyl-(1-methylpiperidin-4-yl)amino]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]carbamate (CID 110455486) is ethyl N-[7-[methyl-(1-methylpiperidin-4-yl)amino]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]carbamate.
What is the SMILES notation for ethyl N-[7-[methyl-(1-methylpiperidin-4-yl)amino]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]carbamate?
The canonical SMILES for ethyl N-[7-[methyl-(1-methylpiperidin-4-yl)amino]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]carbamate is CCOC(=O)Nc1nc2cc(N(C)C3CCN(C)CC3)ccn2n1.
What is the InChIKey of ethyl N-[7-[methyl-(1-methylpiperidin-4-yl)amino]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]carbamate?
The InChIKey is YEGSEGAZDBVWHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N6O2/c1-4-24-16(23)18-15-17-14-11-13(7-10-22(14)19-15)21(3)12-5-8-20(2)9-6-12/h7,10-12H,4-6,8-9H2,1-3H3,(H,18,19,23).
What are the key properties of ethyl N-[7-[methyl-(1-methylpiperidin-4-yl)amino]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]carbamate?
ethyl N-[7-[methyl-(1-methylpiperidin-4-yl)amino]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]carbamate has a molecular weight of 332.41 g/mol, XLogP of 1.83, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[7-[methyl-(1-methylpiperidin-4-yl)amino]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]carbamate is sourced from PubChem (CID 110455486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).