N-[8-(2-amino-2-oxoethoxy)-2-ethylimidazo[1,2-a]pyridin-3-yl]-N-methylthiophene-2-carboxamide

C17H18N4O3S — CID 46943856

IUPACN-[8-(2-amino-2-oxoethoxy)-2-ethylimidazo[1,2-a]pyridin-3-yl]-N-methylthiophene-2-carboxamide
SMILESCCc1nc2c(OCC(N)=O)cccn2c1N(C)C(=O)c1cccs1
InChIInChI=1S/C17H18N4O3S/c1-3-11-16(20(2)17(23)13-7-5-9-25-13)21-8-4-6-12(15(21)19-11)24-10-14(18)22/h4-9H,3,10H2,1-2H3,(H2,18,22)
InChIKeyVNHBMERAMZNIAN-UHFFFAOYSA-N
MW358.42 g/mol
LogP2.10
Rot. Bonds6

About N-[8-(2-amino-2-oxoethoxy)-2-ethylimidazo[1,2-a]pyridin-3-yl]-N-methylthiophene-2-carboxamide

N-[8-(2-amino-2-oxoethoxy)-2-ethylimidazo[1,2-a]pyridin-3-yl]-N-methylthiophene-2-carboxamide (PubChem CID 46943856) has the molecular formula C17H18N4O3S and a molecular weight of 358.42 g/mol. Its IUPAC name is N-[8-(2-amino-2-oxoethoxy)-2-ethylimidazo[1,2-a]pyridin-3-yl]-N-methylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-[8-(2-amino-2-oxoethoxy)-2-ethylimidazo[1,2-a]pyridin-3-yl]-N-methylthiophene-2-carboxamide
PubChem CID46943856
Molecular FormulaC17H18N4O3S
Molecular Weight358.42 g/mol
Exact Mass358.11
IUPAC NameN-[8-(2-amino-2-oxoethoxy)-2-ethylimidazo[1,2-a]pyridin-3-yl]-N-methylthiophene-2-carboxamide
SMILESCCc1nc2c(OCC(N)=O)cccn2c1N(C)C(=O)c1cccs1
InChIInChI=1S/C17H18N4O3S/c1-3-11-16(20(2)17(23)13-7-5-9-25-13)21-8-4-6-12(15(21)19-11)24-10-14(18)22/h4-9H,3,10H2,1-2H3,(H2,18,22)
InChIKeyVNHBMERAMZNIAN-UHFFFAOYSA-N
XLogP2.10
TPSA89.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.42
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[8-(2-amino-2-oxoethoxy)-2-ethylimidazo[1,2-a]pyridin-3-yl]-N-methylthiophene-2-carboxamide?
The IUPAC name of N-[8-(2-amino-2-oxoethoxy)-2-ethylimidazo[1,2-a]pyridin-3-yl]-N-methylthiophene-2-carboxamide (CID 46943856) is N-[8-(2-amino-2-oxoethoxy)-2-ethylimidazo[1,2-a]pyridin-3-yl]-N-methylthiophene-2-carboxamide.
What is the SMILES notation for N-[8-(2-amino-2-oxoethoxy)-2-ethylimidazo[1,2-a]pyridin-3-yl]-N-methylthiophene-2-carboxamide?
The canonical SMILES for N-[8-(2-amino-2-oxoethoxy)-2-ethylimidazo[1,2-a]pyridin-3-yl]-N-methylthiophene-2-carboxamide is CCc1nc2c(OCC(N)=O)cccn2c1N(C)C(=O)c1cccs1.
What is the InChIKey of N-[8-(2-amino-2-oxoethoxy)-2-ethylimidazo[1,2-a]pyridin-3-yl]-N-methylthiophene-2-carboxamide?
The InChIKey is VNHBMERAMZNIAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O3S/c1-3-11-16(20(2)17(23)13-7-5-9-25-13)21-8-4-6-12(15(21)19-11)24-10-14(18)22/h4-9H,3,10H2,1-2H3,(H2,18,22).
What are the key properties of N-[8-(2-amino-2-oxoethoxy)-2-ethylimidazo[1,2-a]pyridin-3-yl]-N-methylthiophene-2-carboxamide?
N-[8-(2-amino-2-oxoethoxy)-2-ethylimidazo[1,2-a]pyridin-3-yl]-N-methylthiophene-2-carboxamide has a molecular weight of 358.42 g/mol, XLogP of 2.10, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[8-(2-amino-2-oxoethoxy)-2-ethylimidazo[1,2-a]pyridin-3-yl]-N-methylthiophene-2-carboxamide is sourced from PubChem (CID 46943856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).