2-[2-(chloromethyl)-6-methylimidazo[4,5-b]pyridin-3-yl]-N-propylpropanamide

C14H19ClN4O — CID 79300800

IUPAC2-[2-(chloromethyl)-6-methylimidazo[4,5-b]pyridin-3-yl]-N-propylpropanamide
SMILESCCCNC(=O)C(C)n1c(CCl)nc2cc(C)cnc21
InChIInChI=1S/C14H19ClN4O/c1-4-5-16-14(20)10(3)19-12(7-15)18-11-6-9(2)8-17-13(11)19/h6,8,10H,4-5,7H2,1-3H3,(H,16,20)
InChIKeyORTOSUMVXUFRPQ-UHFFFAOYSA-N
MW294.79 g/mol
LogP2.57
Rot. Bonds5

About 2-[2-(chloromethyl)-6-methylimidazo[4,5-b]pyridin-3-yl]-N-propylpropanamide

2-[2-(chloromethyl)-6-methylimidazo[4,5-b]pyridin-3-yl]-N-propylpropanamide (PubChem CID 79300800) has the molecular formula C14H19ClN4O and a molecular weight of 294.79 g/mol. Its IUPAC name is 2-[2-(chloromethyl)-6-methylimidazo[4,5-b]pyridin-3-yl]-N-propylpropanamide.

Molecular Properties

Compound Name2-[2-(chloromethyl)-6-methylimidazo[4,5-b]pyridin-3-yl]-N-propylpropanamide
PubChem CID79300800
Molecular FormulaC14H19ClN4O
Molecular Weight294.79 g/mol
Exact Mass294.12
IUPAC Name2-[2-(chloromethyl)-6-methylimidazo[4,5-b]pyridin-3-yl]-N-propylpropanamide
SMILESCCCNC(=O)C(C)n1c(CCl)nc2cc(C)cnc21
InChIInChI=1S/C14H19ClN4O/c1-4-5-16-14(20)10(3)19-12(7-15)18-11-6-9(2)8-17-13(11)19/h6,8,10H,4-5,7H2,1-3H3,(H,16,20)
InChIKeyORTOSUMVXUFRPQ-UHFFFAOYSA-N
XLogP2.57
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.79
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

methyl 2-[2-(chloromethyl)-6-methylimidazo[4,5-b]pyridin-3-yl]propanoate
CID 79301226
2-(chloromethyl)-3-(3-ethylpentan-2-yl)-6-methylimidazo[4,5-b]pyridine
CID 79306291
2-[2-(chloromethyl)-5-methoxyimidazo[4,5-b]pyridin-3-yl]-N-propylpropanamide
CID 115322847
2-(chloromethyl)-3-hexan-3-yl-6-methylimidazo[4,5-b]pyridine
CID 79306285
2-[2-(2-chloroethyl)-6-methylimidazo[4,5-b]pyridin-3-yl]propanamide
CID 79301792
2-[2-(2-chloroethyl)-6-methylimidazo[4,5-b]pyridin-3-yl]-N-propylacetamide
CID 79301647
2-[2-(chloromethyl)-6,7-difluorobenzimidazol-1-yl]-N-propylpropanamide
CID 62533911
2-[6-methyl-2-(2-methylpropyl)imidazo[4,5-b]pyridin-3-yl]propanoic acid
CID 82061452
2-[2-(chloromethyl)-6-methylimidazo[4,5-b]pyridin-3-yl]ethylurea
CID 83114579
2-[2-(1-chloroethyl)-6-methylimidazo[4,5-b]pyridin-3-yl]-N-methylpropanamide
CID 79301723
2-(chloromethyl)-6-methyl-3-(1-pyrazol-1-ylpropan-2-yl)imidazo[4,5-b]pyridine
CID 79300727
3-[1-(4-bromophenyl)ethyl]-2-(chloromethyl)-6-methylimidazo[4,5-b]pyridine
CID 79279285

Frequently Asked Questions

What is the IUPAC name of 2-[2-(chloromethyl)-6-methylimidazo[4,5-b]pyridin-3-yl]-N-propylpropanamide?
The IUPAC name of 2-[2-(chloromethyl)-6-methylimidazo[4,5-b]pyridin-3-yl]-N-propylpropanamide (CID 79300800) is 2-[2-(chloromethyl)-6-methylimidazo[4,5-b]pyridin-3-yl]-N-propylpropanamide.
What is the SMILES notation for 2-[2-(chloromethyl)-6-methylimidazo[4,5-b]pyridin-3-yl]-N-propylpropanamide?
The canonical SMILES for 2-[2-(chloromethyl)-6-methylimidazo[4,5-b]pyridin-3-yl]-N-propylpropanamide is CCCNC(=O)C(C)n1c(CCl)nc2cc(C)cnc21.
What is the InChIKey of 2-[2-(chloromethyl)-6-methylimidazo[4,5-b]pyridin-3-yl]-N-propylpropanamide?
The InChIKey is ORTOSUMVXUFRPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN4O/c1-4-5-16-14(20)10(3)19-12(7-15)18-11-6-9(2)8-17-13(11)19/h6,8,10H,4-5,7H2,1-3H3,(H,16,20).
What are the key properties of 2-[2-(chloromethyl)-6-methylimidazo[4,5-b]pyridin-3-yl]-N-propylpropanamide?
2-[2-(chloromethyl)-6-methylimidazo[4,5-b]pyridin-3-yl]-N-propylpropanamide has a molecular weight of 294.79 g/mol, XLogP of 2.57, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(chloromethyl)-6-methylimidazo[4,5-b]pyridin-3-yl]-N-propylpropanamide is sourced from PubChem (CID 79300800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).