1-[2-(chloromethyl)-5-methylimidazo[4,5-b]pyridin-3-yl]-N,N,2-trimethylpropan-2-amine

C14H21ClN4 — CID 81135613

IUPAC1-[2-(chloromethyl)-5-methylimidazo[4,5-b]pyridin-3-yl]-N,N,2-trimethylpropan-2-amine
SMILESCc1ccc2nc(CCl)n(CC(C)(C)N(C)C)c2n1
InChIInChI=1S/C14H21ClN4/c1-10-6-7-11-13(16-10)19(12(8-15)17-11)9-14(2,3)18(4)5/h6-7H,8-9H2,1-5H3
InChIKeyXJNJFWBHEAWAJR-UHFFFAOYSA-N
MW280.80 g/mol
LogP2.82
Rot. Bonds4

About 1-[2-(chloromethyl)-5-methylimidazo[4,5-b]pyridin-3-yl]-N,N,2-trimethylpropan-2-amine

1-[2-(chloromethyl)-5-methylimidazo[4,5-b]pyridin-3-yl]-N,N,2-trimethylpropan-2-amine (PubChem CID 81135613) has the molecular formula C14H21ClN4 and a molecular weight of 280.80 g/mol. Its IUPAC name is 1-[2-(chloromethyl)-5-methylimidazo[4,5-b]pyridin-3-yl]-N,N,2-trimethylpropan-2-amine.

Molecular Properties

Compound Name1-[2-(chloromethyl)-5-methylimidazo[4,5-b]pyridin-3-yl]-N,N,2-trimethylpropan-2-amine
PubChem CID81135613
Molecular FormulaC14H21ClN4
Molecular Weight280.80 g/mol
Exact Mass280.15
IUPAC Name1-[2-(chloromethyl)-5-methylimidazo[4,5-b]pyridin-3-yl]-N,N,2-trimethylpropan-2-amine
SMILESCc1ccc2nc(CCl)n(CC(C)(C)N(C)C)c2n1
InChIInChI=1S/C14H21ClN4/c1-10-6-7-11-13(16-10)19(12(8-15)17-11)9-14(2,3)18(4)5/h6-7H,8-9H2,1-5H3
InChIKeyXJNJFWBHEAWAJR-UHFFFAOYSA-N
XLogP2.82
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.80
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(chloromethyl)-5-methylimidazo[4,5-b]pyridin-3-yl]-N,N,2-trimethylpropan-2-amine?
The IUPAC name of 1-[2-(chloromethyl)-5-methylimidazo[4,5-b]pyridin-3-yl]-N,N,2-trimethylpropan-2-amine (CID 81135613) is 1-[2-(chloromethyl)-5-methylimidazo[4,5-b]pyridin-3-yl]-N,N,2-trimethylpropan-2-amine.
What is the SMILES notation for 1-[2-(chloromethyl)-5-methylimidazo[4,5-b]pyridin-3-yl]-N,N,2-trimethylpropan-2-amine?
The canonical SMILES for 1-[2-(chloromethyl)-5-methylimidazo[4,5-b]pyridin-3-yl]-N,N,2-trimethylpropan-2-amine is Cc1ccc2nc(CCl)n(CC(C)(C)N(C)C)c2n1.
What is the InChIKey of 1-[2-(chloromethyl)-5-methylimidazo[4,5-b]pyridin-3-yl]-N,N,2-trimethylpropan-2-amine?
The InChIKey is XJNJFWBHEAWAJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN4/c1-10-6-7-11-13(16-10)19(12(8-15)17-11)9-14(2,3)18(4)5/h6-7H,8-9H2,1-5H3.
What are the key properties of 1-[2-(chloromethyl)-5-methylimidazo[4,5-b]pyridin-3-yl]-N,N,2-trimethylpropan-2-amine?
1-[2-(chloromethyl)-5-methylimidazo[4,5-b]pyridin-3-yl]-N,N,2-trimethylpropan-2-amine has a molecular weight of 280.80 g/mol, XLogP of 2.82, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(chloromethyl)-5-methylimidazo[4,5-b]pyridin-3-yl]-N,N,2-trimethylpropan-2-amine is sourced from PubChem (CID 81135613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).