2-[2-(chloromethyl)-7-methylimidazo[4,5-b]pyridin-3-yl]-N,N-dimethylpropanamide

C13H17ClN4O — CID 79293878

IUPAC2-[2-(chloromethyl)-7-methylimidazo[4,5-b]pyridin-3-yl]-N,N-dimethylpropanamide
SMILESCc1ccnc2c1nc(CCl)n2C(C)C(=O)N(C)C
InChIInChI=1S/C13H17ClN4O/c1-8-5-6-15-12-11(8)16-10(7-14)18(12)9(2)13(19)17(3)4/h5-6,9H,7H2,1-4H3
InChIKeyAKJXMAHOXVTTLO-UHFFFAOYSA-N
MW280.76 g/mol
LogP2.13
Rot. Bonds3

About 2-[2-(chloromethyl)-7-methylimidazo[4,5-b]pyridin-3-yl]-N,N-dimethylpropanamide

2-[2-(chloromethyl)-7-methylimidazo[4,5-b]pyridin-3-yl]-N,N-dimethylpropanamide (PubChem CID 79293878) has the molecular formula C13H17ClN4O and a molecular weight of 280.76 g/mol. Its IUPAC name is 2-[2-(chloromethyl)-7-methylimidazo[4,5-b]pyridin-3-yl]-N,N-dimethylpropanamide.

Molecular Properties

Compound Name2-[2-(chloromethyl)-7-methylimidazo[4,5-b]pyridin-3-yl]-N,N-dimethylpropanamide
PubChem CID79293878
Molecular FormulaC13H17ClN4O
Molecular Weight280.76 g/mol
Exact Mass280.11
IUPAC Name2-[2-(chloromethyl)-7-methylimidazo[4,5-b]pyridin-3-yl]-N,N-dimethylpropanamide
SMILESCc1ccnc2c1nc(CCl)n2C(C)C(=O)N(C)C
InChIInChI=1S/C13H17ClN4O/c1-8-5-6-15-12-11(8)16-10(7-14)18(12)9(2)13(19)17(3)4/h5-6,9H,7H2,1-4H3
InChIKeyAKJXMAHOXVTTLO-UHFFFAOYSA-N
XLogP2.13
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.76
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(3-benzyl-3H-imidazo[4,5-b]pyridin-2-yl)-N-butylpropanamide
CID 20867282
Cdmip
CID 195273
2-(N-methylanilino)-1-[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]piperidin-1-yl]ethanone
CID 10691006
2-(4-Chlorophenyl)-N,N-dipropyl-3H-imidazo[4,5-b]pyridine-3-acetamide
CID 14390227
2-(4-Chlorophenyl)-N,N-dibutyl-3H-imidazo[4,5-b]pyridine-3-acetamide
CID 14390306
2-[2-(4-chlorophenyl)imidazo[4,5-b]pyridin-3-yl]-N-methyl-N-propylacetamide
CID 14390388
2-[2-(4-chlorophenyl)-5-methylimidazo[4,5-b]pyridin-3-yl]-N,N-dimethylacetamide
CID 15099493
2-[2-amino-4-(butylamino)pyrrolo[3,2-d]pyrimidin-5-yl]-N-methylacetamide
CID 118334999
3-(3-benzylimidazo[4,5-b]pyridin-2-yl)-N-[(1S)-1-phenylethyl]propanamide
CID 122445553
1-Pyridin-4-ylimidazo[1,5-a]pyridine-3-carboxamide
CID 127040260
1-[(3S)-3-(2-methyl-5-pyridin-4-ylimidazo[4,5-b]pyridin-3-yl)pyrrolidin-1-yl]ethanone
CID 146316011
5-(2-ethyl-3-pentan-2-ylimidazo[4,5-b]pyridin-7-yl)-6-(trifluoromethyl)-1H-pyridin-2-one
CID 44329944

Frequently Asked Questions

What is the IUPAC name of 2-[2-(chloromethyl)-7-methylimidazo[4,5-b]pyridin-3-yl]-N,N-dimethylpropanamide?
The IUPAC name of 2-[2-(chloromethyl)-7-methylimidazo[4,5-b]pyridin-3-yl]-N,N-dimethylpropanamide (CID 79293878) is 2-[2-(chloromethyl)-7-methylimidazo[4,5-b]pyridin-3-yl]-N,N-dimethylpropanamide.
What is the SMILES notation for 2-[2-(chloromethyl)-7-methylimidazo[4,5-b]pyridin-3-yl]-N,N-dimethylpropanamide?
The canonical SMILES for 2-[2-(chloromethyl)-7-methylimidazo[4,5-b]pyridin-3-yl]-N,N-dimethylpropanamide is Cc1ccnc2c1nc(CCl)n2C(C)C(=O)N(C)C.
What is the InChIKey of 2-[2-(chloromethyl)-7-methylimidazo[4,5-b]pyridin-3-yl]-N,N-dimethylpropanamide?
The InChIKey is AKJXMAHOXVTTLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN4O/c1-8-5-6-15-12-11(8)16-10(7-14)18(12)9(2)13(19)17(3)4/h5-6,9H,7H2,1-4H3.
What are the key properties of 2-[2-(chloromethyl)-7-methylimidazo[4,5-b]pyridin-3-yl]-N,N-dimethylpropanamide?
2-[2-(chloromethyl)-7-methylimidazo[4,5-b]pyridin-3-yl]-N,N-dimethylpropanamide has a molecular weight of 280.76 g/mol, XLogP of 2.13, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(chloromethyl)-7-methylimidazo[4,5-b]pyridin-3-yl]-N,N-dimethylpropanamide is sourced from PubChem (CID 79293878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).