N-[2-[6-chloro-2-(1-chloroethyl)imidazo[4,5-b]pyridin-3-yl]ethyl]-N-ethylpropan-1-amine

C15H22Cl2N4 — CID 106004677

IUPACN-[2-[6-chloro-2-(1-chloroethyl)imidazo[4,5-b]pyridin-3-yl]ethyl]-N-ethylpropan-1-amine
SMILESCCCN(CC)CCn1c(C(C)Cl)nc2cc(Cl)cnc21
InChIInChI=1S/C15H22Cl2N4/c1-4-6-20(5-2)7-8-21-14(11(3)16)19-13-9-12(17)10-18-15(13)21/h9-11H,4-8H2,1-3H3
InChIKeyQCGAPIOZSILPJG-UHFFFAOYSA-N
MW329.28 g/mol
LogP4.12
Rot. Bonds7

About N-[2-[6-chloro-2-(1-chloroethyl)imidazo[4,5-b]pyridin-3-yl]ethyl]-N-ethylpropan-1-amine

N-[2-[6-chloro-2-(1-chloroethyl)imidazo[4,5-b]pyridin-3-yl]ethyl]-N-ethylpropan-1-amine (PubChem CID 106004677) has the molecular formula C15H22Cl2N4 and a molecular weight of 329.28 g/mol. Its IUPAC name is N-[2-[6-chloro-2-(1-chloroethyl)imidazo[4,5-b]pyridin-3-yl]ethyl]-N-ethylpropan-1-amine.

Molecular Properties

Compound NameN-[2-[6-chloro-2-(1-chloroethyl)imidazo[4,5-b]pyridin-3-yl]ethyl]-N-ethylpropan-1-amine
PubChem CID106004677
Molecular FormulaC15H22Cl2N4
Molecular Weight329.28 g/mol
Exact Mass328.12
IUPAC NameN-[2-[6-chloro-2-(1-chloroethyl)imidazo[4,5-b]pyridin-3-yl]ethyl]-N-ethylpropan-1-amine
SMILESCCCN(CC)CCn1c(C(C)Cl)nc2cc(Cl)cnc21
InChIInChI=1S/C15H22Cl2N4/c1-4-6-20(5-2)7-8-21-14(11(3)16)19-13-9-12(17)10-18-15(13)21/h9-11H,4-8H2,1-3H3
InChIKeyQCGAPIOZSILPJG-UHFFFAOYSA-N
XLogP4.12
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.28
LogP ≤ 54.12
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 N-[2-[6-chloro-2-(1-chloroethyl)imidazo[4,5-b]pyridin-3-yl]ethyl]-N-ethylpropan-1-amine?
The IUPAC name of N-[2-[6-chloro-2-(1-chloroethyl)imidazo[4,5-b]pyridin-3-yl]ethyl]-N-ethylpropan-1-amine (CID 106004677) is N-[2-[6-chloro-2-(1-chloroethyl)imidazo[4,5-b]pyridin-3-yl]ethyl]-N-ethylpropan-1-amine.
What is the SMILES notation for N-[2-[6-chloro-2-(1-chloroethyl)imidazo[4,5-b]pyridin-3-yl]ethyl]-N-ethylpropan-1-amine?
The canonical SMILES for N-[2-[6-chloro-2-(1-chloroethyl)imidazo[4,5-b]pyridin-3-yl]ethyl]-N-ethylpropan-1-amine is CCCN(CC)CCn1c(C(C)Cl)nc2cc(Cl)cnc21.
What is the InChIKey of N-[2-[6-chloro-2-(1-chloroethyl)imidazo[4,5-b]pyridin-3-yl]ethyl]-N-ethylpropan-1-amine?
The InChIKey is QCGAPIOZSILPJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22Cl2N4/c1-4-6-20(5-2)7-8-21-14(11(3)16)19-13-9-12(17)10-18-15(13)21/h9-11H,4-8H2,1-3H3.
What are the key properties of N-[2-[6-chloro-2-(1-chloroethyl)imidazo[4,5-b]pyridin-3-yl]ethyl]-N-ethylpropan-1-amine?
N-[2-[6-chloro-2-(1-chloroethyl)imidazo[4,5-b]pyridin-3-yl]ethyl]-N-ethylpropan-1-amine has a molecular weight of 329.28 g/mol, XLogP of 4.12, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[6-chloro-2-(1-chloroethyl)imidazo[4,5-b]pyridin-3-yl]ethyl]-N-ethylpropan-1-amine is sourced from PubChem (CID 106004677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).