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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Related Compounds

N-[1-(3-propan-2-ylimidazo[4,5-b]pyridin-2-yl)ethyl]-2-pyridin-4-ylsulfanylacetamide
CID 126469518
2-(2-chloro-6-fluorophenyl)-N-[1-(3-propan-2-ylimidazo[4,5-b]pyridin-2-yl)ethyl]acetamide
CID 16668805
3-(3,5-dimethylpyrazol-1-yl)-N-[(1S)-1-(3-propan-2-ylimidazo[4,5-b]pyridin-2-yl)ethyl]propanamide
CID 51492642
1-(4-methylphenyl)-3-[2-methyl-1-(3-propan-2-ylimidazo[4,5-b]pyridin-2-yl)propyl]urea
CID 46344112
[(1S)-1-(3-phenylimidazo[4,5-b]pyridin-2-yl)ethyl]carbamic acid
CID 141346036
N-[1-(3-ethylimidazo[4,5-b]pyridin-2-yl)-3-methylbutyl]acetamide
CID 110225703
2-(2-fluorophenyl)-N-[3-methyl-1-(3-propan-2-ylimidazo[4,5-b]pyridin-2-yl)butyl]acetamide
CID 16668541
2-methoxy-2-(3-propan-2-ylimidazo[4,5-b]pyridin-2-yl)ethanamine
CID 114144455
2-[2-(1-chloroethyl)imidazo[4,5-b]pyridin-3-yl]propanamide
CID 79294510
[(1S)-1-[3-(4-chlorophenyl)imidazo[4,5-b]pyridin-2-yl]ethyl]carbamic acid
CID 141346004
N-[1-(1-phenylimidazo[4,5-b]pyridin-2-yl)ethyl]acetamide
CID 70922803
5-(3-propan-2-ylimidazo[4,5-b]pyridin-2-yl)benzene-1,3-diol
CID 107704572

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).