3-[2-(1-chloroethyl)-5-methoxyimidazo[4,5-b]pyridin-3-yl]-2,2-dimethylpropanamide

C14H19ClN4O2 — CID 106278723

IUPAC3-[2-(1-chloroethyl)-5-methoxyimidazo[4,5-b]pyridin-3-yl]-2,2-dimethylpropanamide
SMILESCOc1ccc2nc(C(C)Cl)n(CC(C)(C)C(N)=O)c2n1
InChIInChI=1S/C14H19ClN4O2/c1-8(15)11-17-9-5-6-10(21-4)18-12(9)19(11)7-14(2,3)13(16)20/h5-6,8H,7H2,1-4H3,(H2,16,20)
InChIKeyWRMPFXJZWGOIFF-UHFFFAOYSA-N
MW310.79 g/mol
LogP2.25
Rot. Bonds5

About 3-[2-(1-chloroethyl)-5-methoxyimidazo[4,5-b]pyridin-3-yl]-2,2-dimethylpropanamide

3-[2-(1-chloroethyl)-5-methoxyimidazo[4,5-b]pyridin-3-yl]-2,2-dimethylpropanamide (PubChem CID 106278723) has the molecular formula C14H19ClN4O2 and a molecular weight of 310.79 g/mol. Its IUPAC name is 3-[2-(1-chloroethyl)-5-methoxyimidazo[4,5-b]pyridin-3-yl]-2,2-dimethylpropanamide.

Molecular Properties

Compound Name3-[2-(1-chloroethyl)-5-methoxyimidazo[4,5-b]pyridin-3-yl]-2,2-dimethylpropanamide
PubChem CID106278723
Molecular FormulaC14H19ClN4O2
Molecular Weight310.79 g/mol
Exact Mass310.12
IUPAC Name3-[2-(1-chloroethyl)-5-methoxyimidazo[4,5-b]pyridin-3-yl]-2,2-dimethylpropanamide
SMILESCOc1ccc2nc(C(C)Cl)n(CC(C)(C)C(N)=O)c2n1
InChIInChI=1S/C14H19ClN4O2/c1-8(15)11-17-9-5-6-10(21-4)18-12(9)19(11)7-14(2,3)13(16)20/h5-6,8H,7H2,1-4H3,(H2,16,20)
InChIKeyWRMPFXJZWGOIFF-UHFFFAOYSA-N
XLogP2.25
TPSA83.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.79
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

2-(1-chloroethyl)-5-methoxy-3-(3-methoxy-2-methylpropyl)imidazo[4,5-b]pyridine
CID 115322941
3-[6-chloro-2-(1-chloroethyl)benzimidazol-1-yl]-2,2-dimethylpropanamide
CID 106278774
3-[5-bromo-2-(1-chloroethyl)benzimidazol-1-yl]-2,2-dimethylpropanamide
CID 106278745
2-(1-chloroethyl)-5-methoxy-3-(3-methylsulfonylpropyl)imidazo[4,5-b]pyridine
CID 115322892
2-(1-chloroethyl)-5-methoxy-3-[2-(trifluoromethylsulfanyl)ethyl]imidazo[4,5-b]pyridine
CID 106432070
3-[2-(1-chloroethyl)-5-methoxyimidazo[4,5-b]pyridin-3-yl]-N,N-dimethylpropan-1-amine
CID 115322579
2-(1-chloroethyl)-5-methoxy-3-propan-2-ylimidazo[4,5-b]pyridine
CID 115322528
5-[2-[2-(1-chloroethyl)-5-methoxyimidazo[4,5-b]pyridin-3-yl]ethyl]-1,2,4-oxadiazole
CID 106407211
N-[2-[2-(1-chloroethyl)-5-methoxyimidazo[4,5-b]pyridin-3-yl]ethyl]-N-methylcyclopropanamine
CID 115322999
3-[2-(1-chloroethyl)-6-fluoro-5-iodobenzimidazol-1-yl]-2,2-dimethylpropanamide
CID 106278764
2-[2-(chloromethyl)-5-methoxyimidazo[4,5-b]pyridin-3-yl]acetamide
CID 115322521
2-(1-chloroethyl)-5-methoxy-3-(2-methylpentan-3-yl)imidazo[4,5-b]pyridine
CID 115322826

Frequently Asked Questions

What is the IUPAC name of 3-[2-(1-chloroethyl)-5-methoxyimidazo[4,5-b]pyridin-3-yl]-2,2-dimethylpropanamide?
The IUPAC name of 3-[2-(1-chloroethyl)-5-methoxyimidazo[4,5-b]pyridin-3-yl]-2,2-dimethylpropanamide (CID 106278723) is 3-[2-(1-chloroethyl)-5-methoxyimidazo[4,5-b]pyridin-3-yl]-2,2-dimethylpropanamide.
What is the SMILES notation for 3-[2-(1-chloroethyl)-5-methoxyimidazo[4,5-b]pyridin-3-yl]-2,2-dimethylpropanamide?
The canonical SMILES for 3-[2-(1-chloroethyl)-5-methoxyimidazo[4,5-b]pyridin-3-yl]-2,2-dimethylpropanamide is COc1ccc2nc(C(C)Cl)n(CC(C)(C)C(N)=O)c2n1.
What is the InChIKey of 3-[2-(1-chloroethyl)-5-methoxyimidazo[4,5-b]pyridin-3-yl]-2,2-dimethylpropanamide?
The InChIKey is WRMPFXJZWGOIFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN4O2/c1-8(15)11-17-9-5-6-10(21-4)18-12(9)19(11)7-14(2,3)13(16)20/h5-6,8H,7H2,1-4H3,(H2,16,20).
What are the key properties of 3-[2-(1-chloroethyl)-5-methoxyimidazo[4,5-b]pyridin-3-yl]-2,2-dimethylpropanamide?
3-[2-(1-chloroethyl)-5-methoxyimidazo[4,5-b]pyridin-3-yl]-2,2-dimethylpropanamide has a molecular weight of 310.79 g/mol, XLogP of 2.25, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(1-chloroethyl)-5-methoxyimidazo[4,5-b]pyridin-3-yl]-2,2-dimethylpropanamide is sourced from PubChem (CID 106278723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).