N-[2-[2-(chloromethyl)imidazo[4,5-b]pyridin-3-yl]ethyl]-N-methylpropan-2-amine

C13H19ClN4 — CID 79294605

IUPACN-[2-[2-(chloromethyl)imidazo[4,5-b]pyridin-3-yl]ethyl]-N-methylpropan-2-amine
SMILESCC(C)N(C)CCn1c(CCl)nc2cccnc21
InChIInChI=1S/C13H19ClN4/c1-10(2)17(3)7-8-18-12(9-14)16-11-5-4-6-15-13(11)18/h4-6,10H,7-9H2,1-3H3
InChIKeyLXNCNYGKZBPEPP-UHFFFAOYSA-N
MW266.78 g/mol
LogP2.51
Rot. Bonds5

About N-[2-[2-(chloromethyl)imidazo[4,5-b]pyridin-3-yl]ethyl]-N-methylpropan-2-amine

N-[2-[2-(chloromethyl)imidazo[4,5-b]pyridin-3-yl]ethyl]-N-methylpropan-2-amine (PubChem CID 79294605) has the molecular formula C13H19ClN4 and a molecular weight of 266.78 g/mol. Its IUPAC name is N-[2-[2-(chloromethyl)imidazo[4,5-b]pyridin-3-yl]ethyl]-N-methylpropan-2-amine.

Molecular Properties

Compound NameN-[2-[2-(chloromethyl)imidazo[4,5-b]pyridin-3-yl]ethyl]-N-methylpropan-2-amine
PubChem CID79294605
Molecular FormulaC13H19ClN4
Molecular Weight266.78 g/mol
Exact Mass266.13
IUPAC NameN-[2-[2-(chloromethyl)imidazo[4,5-b]pyridin-3-yl]ethyl]-N-methylpropan-2-amine
SMILESCC(C)N(C)CCn1c(CCl)nc2cccnc21
InChIInChI=1S/C13H19ClN4/c1-10(2)17(3)7-8-18-12(9-14)16-11-5-4-6-15-13(11)18/h4-6,10H,7-9H2,1-3H3
InChIKeyLXNCNYGKZBPEPP-UHFFFAOYSA-N
XLogP2.51
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.78
LogP ≤ 52.51
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-[2-(chloromethyl)imidazo[4,5-b]pyridin-3-yl]ethyl]-N-methylpropan-2-amine?
The IUPAC name of N-[2-[2-(chloromethyl)imidazo[4,5-b]pyridin-3-yl]ethyl]-N-methylpropan-2-amine (CID 79294605) is N-[2-[2-(chloromethyl)imidazo[4,5-b]pyridin-3-yl]ethyl]-N-methylpropan-2-amine.
What is the SMILES notation for N-[2-[2-(chloromethyl)imidazo[4,5-b]pyridin-3-yl]ethyl]-N-methylpropan-2-amine?
The canonical SMILES for N-[2-[2-(chloromethyl)imidazo[4,5-b]pyridin-3-yl]ethyl]-N-methylpropan-2-amine is CC(C)N(C)CCn1c(CCl)nc2cccnc21.
What is the InChIKey of N-[2-[2-(chloromethyl)imidazo[4,5-b]pyridin-3-yl]ethyl]-N-methylpropan-2-amine?
The InChIKey is LXNCNYGKZBPEPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN4/c1-10(2)17(3)7-8-18-12(9-14)16-11-5-4-6-15-13(11)18/h4-6,10H,7-9H2,1-3H3.
What are the key properties of N-[2-[2-(chloromethyl)imidazo[4,5-b]pyridin-3-yl]ethyl]-N-methylpropan-2-amine?
N-[2-[2-(chloromethyl)imidazo[4,5-b]pyridin-3-yl]ethyl]-N-methylpropan-2-amine has a molecular weight of 266.78 g/mol, XLogP of 2.51, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(chloromethyl)imidazo[4,5-b]pyridin-3-yl]ethyl]-N-methylpropan-2-amine is sourced from PubChem (CID 79294605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).