2-[2-(1-chloroethyl)-7-methylimidazo[4,5-b]pyridin-3-yl]-N,N-dimethylpropan-1-amine

C14H21ClN4 — CID 82950142

IUPAC2-[2-(1-chloroethyl)-7-methylimidazo[4,5-b]pyridin-3-yl]-N,N-dimethylpropan-1-amine
SMILESCc1ccnc2c1nc(C(C)Cl)n2C(C)CN(C)C
InChIInChI=1S/C14H21ClN4/c1-9-6-7-16-14-12(9)17-13(11(3)15)19(14)10(2)8-18(4)5/h6-7,10-11H,8H2,1-5H3
InChIKeyNIDXHQCDVSCOFK-UHFFFAOYSA-N
MW280.80 g/mol
LogP3.16
Rot. Bonds4

About 2-[2-(1-chloroethyl)-7-methylimidazo[4,5-b]pyridin-3-yl]-N,N-dimethylpropan-1-amine

2-[2-(1-chloroethyl)-7-methylimidazo[4,5-b]pyridin-3-yl]-N,N-dimethylpropan-1-amine (PubChem CID 82950142) has the molecular formula C14H21ClN4 and a molecular weight of 280.80 g/mol. Its IUPAC name is 2-[2-(1-chloroethyl)-7-methylimidazo[4,5-b]pyridin-3-yl]-N,N-dimethylpropan-1-amine.

Molecular Properties

Compound Name2-[2-(1-chloroethyl)-7-methylimidazo[4,5-b]pyridin-3-yl]-N,N-dimethylpropan-1-amine
PubChem CID82950142
Molecular FormulaC14H21ClN4
Molecular Weight280.80 g/mol
Exact Mass280.15
IUPAC Name2-[2-(1-chloroethyl)-7-methylimidazo[4,5-b]pyridin-3-yl]-N,N-dimethylpropan-1-amine
SMILESCc1ccnc2c1nc(C(C)Cl)n2C(C)CN(C)C
InChIInChI=1S/C14H21ClN4/c1-9-6-7-16-14-12(9)17-13(11(3)15)19(14)10(2)8-18(4)5/h6-7,10-11H,8H2,1-5H3
InChIKeyNIDXHQCDVSCOFK-UHFFFAOYSA-N
XLogP3.16
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 ≤ 53.16
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 2-[2-(1-chloroethyl)-7-methylimidazo[4,5-b]pyridin-3-yl]-N,N-dimethylpropan-1-amine?
The IUPAC name of 2-[2-(1-chloroethyl)-7-methylimidazo[4,5-b]pyridin-3-yl]-N,N-dimethylpropan-1-amine (CID 82950142) is 2-[2-(1-chloroethyl)-7-methylimidazo[4,5-b]pyridin-3-yl]-N,N-dimethylpropan-1-amine.
What is the SMILES notation for 2-[2-(1-chloroethyl)-7-methylimidazo[4,5-b]pyridin-3-yl]-N,N-dimethylpropan-1-amine?
The canonical SMILES for 2-[2-(1-chloroethyl)-7-methylimidazo[4,5-b]pyridin-3-yl]-N,N-dimethylpropan-1-amine is Cc1ccnc2c1nc(C(C)Cl)n2C(C)CN(C)C.
What is the InChIKey of 2-[2-(1-chloroethyl)-7-methylimidazo[4,5-b]pyridin-3-yl]-N,N-dimethylpropan-1-amine?
The InChIKey is NIDXHQCDVSCOFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN4/c1-9-6-7-16-14-12(9)17-13(11(3)15)19(14)10(2)8-18(4)5/h6-7,10-11H,8H2,1-5H3.
What are the key properties of 2-[2-(1-chloroethyl)-7-methylimidazo[4,5-b]pyridin-3-yl]-N,N-dimethylpropan-1-amine?
2-[2-(1-chloroethyl)-7-methylimidazo[4,5-b]pyridin-3-yl]-N,N-dimethylpropan-1-amine has a molecular weight of 280.80 g/mol, XLogP of 3.16, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1-chloroethyl)-7-methylimidazo[4,5-b]pyridin-3-yl]-N,N-dimethylpropan-1-amine is sourced from PubChem (CID 82950142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).