N-tert-butyl-N-[2-[5-(1,3-dioxolan-2-yl)furan-2-yl]-7-methylimidazo[1,2-a]pyridin-3-yl]acetamide

C21H25N3O4 — CID 69337966

IUPACN-tert-butyl-N-[2-[5-(1,3-dioxolan-2-yl)furan-2-yl]-7-methylimidazo[1,2-a]pyridin-3-yl]acetamide
SMILESCC(=O)N(c1c(-c2ccc(C3OCCO3)o2)nc2cc(C)ccn12)C(C)(C)C
InChIInChI=1S/C21H25N3O4/c1-13-8-9-23-17(12-13)22-18(19(23)24(14(2)25)21(3,4)5)15-6-7-16(28-15)20-26-10-11-27-20/h6-9,12,20H,10-11H2,1-5H3
InChIKeyXZNUNPIGJOFDKV-UHFFFAOYSA-N
MW383.45 g/mol
LogP4.10
Rot. Bonds3

About N-tert-butyl-N-[2-[5-(1,3-dioxolan-2-yl)furan-2-yl]-7-methylimidazo[1,2-a]pyridin-3-yl]acetamide

N-tert-butyl-N-[2-[5-(1,3-dioxolan-2-yl)furan-2-yl]-7-methylimidazo[1,2-a]pyridin-3-yl]acetamide (PubChem CID 69337966) has the molecular formula C21H25N3O4 and a molecular weight of 383.45 g/mol. Its IUPAC name is N-tert-butyl-N-[2-[5-(1,3-dioxolan-2-yl)furan-2-yl]-7-methylimidazo[1,2-a]pyridin-3-yl]acetamide.

Molecular Properties

Compound NameN-tert-butyl-N-[2-[5-(1,3-dioxolan-2-yl)furan-2-yl]-7-methylimidazo[1,2-a]pyridin-3-yl]acetamide
PubChem CID69337966
Molecular FormulaC21H25N3O4
Molecular Weight383.45 g/mol
Exact Mass383.18
IUPAC NameN-tert-butyl-N-[2-[5-(1,3-dioxolan-2-yl)furan-2-yl]-7-methylimidazo[1,2-a]pyridin-3-yl]acetamide
SMILESCC(=O)N(c1c(-c2ccc(C3OCCO3)o2)nc2cc(C)ccn12)C(C)(C)C
InChIInChI=1S/C21H25N3O4/c1-13-8-9-23-17(12-13)22-18(19(23)24(14(2)25)21(3,4)5)15-6-7-16(28-15)20-26-10-11-27-20/h6-9,12,20H,10-11H2,1-5H3
InChIKeyXZNUNPIGJOFDKV-UHFFFAOYSA-N
XLogP4.10
TPSA69.21 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.45
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-N-[2-[5-(1,3-dioxolan-2-yl)furan-2-yl]-7-methylimidazo[1,2-a]pyridin-3-yl]acetamide?
The IUPAC name of N-tert-butyl-N-[2-[5-(1,3-dioxolan-2-yl)furan-2-yl]-7-methylimidazo[1,2-a]pyridin-3-yl]acetamide (CID 69337966) is N-tert-butyl-N-[2-[5-(1,3-dioxolan-2-yl)furan-2-yl]-7-methylimidazo[1,2-a]pyridin-3-yl]acetamide.
What is the SMILES notation for N-tert-butyl-N-[2-[5-(1,3-dioxolan-2-yl)furan-2-yl]-7-methylimidazo[1,2-a]pyridin-3-yl]acetamide?
The canonical SMILES for N-tert-butyl-N-[2-[5-(1,3-dioxolan-2-yl)furan-2-yl]-7-methylimidazo[1,2-a]pyridin-3-yl]acetamide is CC(=O)N(c1c(-c2ccc(C3OCCO3)o2)nc2cc(C)ccn12)C(C)(C)C.
What is the InChIKey of N-tert-butyl-N-[2-[5-(1,3-dioxolan-2-yl)furan-2-yl]-7-methylimidazo[1,2-a]pyridin-3-yl]acetamide?
The InChIKey is XZNUNPIGJOFDKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O4/c1-13-8-9-23-17(12-13)22-18(19(23)24(14(2)25)21(3,4)5)15-6-7-16(28-15)20-26-10-11-27-20/h6-9,12,20H,10-11H2,1-5H3.
What are the key properties of N-tert-butyl-N-[2-[5-(1,3-dioxolan-2-yl)furan-2-yl]-7-methylimidazo[1,2-a]pyridin-3-yl]acetamide?
N-tert-butyl-N-[2-[5-(1,3-dioxolan-2-yl)furan-2-yl]-7-methylimidazo[1,2-a]pyridin-3-yl]acetamide has a molecular weight of 383.45 g/mol, XLogP of 4.10, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-N-[2-[5-(1,3-dioxolan-2-yl)furan-2-yl]-7-methylimidazo[1,2-a]pyridin-3-yl]acetamide is sourced from PubChem (CID 69337966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).