N-[1-(3-propan-2-ylimidazo[4,5-b]pyridin-2-yl)ethyl]acetamide

C13H18N4O — CID 110225702

IUPACN-[1-(3-propan-2-ylimidazo[4,5-b]pyridin-2-yl)ethyl]acetamide
SMILESCC(=O)NC(C)c1nc2cccnc2n1C(C)C
InChIInChI=1S/C13H18N4O/c1-8(2)17-12(9(3)15-10(4)18)16-11-6-5-7-14-13(11)17/h5-9H,1-4H3,(H,15,18)
InChIKeyANYHADHIVOGOCA-UHFFFAOYSA-N
MW246.31 g/mol
LogP2.21
Rot. Bonds3

About N-[1-(3-propan-2-ylimidazo[4,5-b]pyridin-2-yl)ethyl]acetamide

N-[1-(3-propan-2-ylimidazo[4,5-b]pyridin-2-yl)ethyl]acetamide (PubChem CID 110225702) has the molecular formula C13H18N4O and a molecular weight of 246.31 g/mol. Its IUPAC name is N-[1-(3-propan-2-ylimidazo[4,5-b]pyridin-2-yl)ethyl]acetamide.

Molecular Properties

Compound NameN-[1-(3-propan-2-ylimidazo[4,5-b]pyridin-2-yl)ethyl]acetamide
PubChem CID110225702
Molecular FormulaC13H18N4O
Molecular Weight246.31 g/mol
Exact Mass246.15
IUPAC NameN-[1-(3-propan-2-ylimidazo[4,5-b]pyridin-2-yl)ethyl]acetamide
SMILESCC(=O)NC(C)c1nc2cccnc2n1C(C)C
InChIInChI=1S/C13H18N4O/c1-8(2)17-12(9(3)15-10(4)18)16-11-6-5-7-14-13(11)17/h5-9H,1-4H3,(H,15,18)
InChIKeyANYHADHIVOGOCA-UHFFFAOYSA-N
XLogP2.21
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-(3-propan-2-ylimidazo[4,5-b]pyridin-2-yl)ethyl]acetamide?
The IUPAC name of N-[1-(3-propan-2-ylimidazo[4,5-b]pyridin-2-yl)ethyl]acetamide (CID 110225702) is N-[1-(3-propan-2-ylimidazo[4,5-b]pyridin-2-yl)ethyl]acetamide.
What is the SMILES notation for N-[1-(3-propan-2-ylimidazo[4,5-b]pyridin-2-yl)ethyl]acetamide?
The canonical SMILES for N-[1-(3-propan-2-ylimidazo[4,5-b]pyridin-2-yl)ethyl]acetamide is CC(=O)NC(C)c1nc2cccnc2n1C(C)C.
What is the InChIKey of N-[1-(3-propan-2-ylimidazo[4,5-b]pyridin-2-yl)ethyl]acetamide?
The InChIKey is ANYHADHIVOGOCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O/c1-8(2)17-12(9(3)15-10(4)18)16-11-6-5-7-14-13(11)17/h5-9H,1-4H3,(H,15,18).
What are the key properties of N-[1-(3-propan-2-ylimidazo[4,5-b]pyridin-2-yl)ethyl]acetamide?
N-[1-(3-propan-2-ylimidazo[4,5-b]pyridin-2-yl)ethyl]acetamide has a molecular weight of 246.31 g/mol, XLogP of 2.21, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-propan-2-ylimidazo[4,5-b]pyridin-2-yl)ethyl]acetamide is sourced from PubChem (CID 110225702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).