N-[(3,6-dichloro-2-pyridinyl)methyl]-N-(pyridin-4-ylmethyl)ethanamine

C14H15Cl2N3 — CID 62891299

IUPACN-[(3,6-dichloro-2-pyridinyl)methyl]-N-(pyridin-4-ylmethyl)ethanamine
SMILESCCN(Cc1ccncc1)Cc1nc(Cl)ccc1Cl
InChIInChI=1S/C14H15Cl2N3/c1-2-19(9-11-5-7-17-8-6-11)10-13-12(15)3-4-14(16)18-13/h3-8H,2,9-10H2,1H3
InChIKeyZQSHBBNSSCUFOH-UHFFFAOYSA-N
MW296.20 g/mol
LogP3.81
Rot. Bonds5

About N-[(3,6-dichloro-2-pyridinyl)methyl]-N-(pyridin-4-ylmethyl)ethanamine

N-[(3,6-dichloro-2-pyridinyl)methyl]-N-(pyridin-4-ylmethyl)ethanamine (PubChem CID 62891299) has the molecular formula C14H15Cl2N3 and a molecular weight of 296.20 g/mol. Its IUPAC name is N-[(3,6-dichloro-2-pyridinyl)methyl]-N-(pyridin-4-ylmethyl)ethanamine.

Molecular Properties

Compound NameN-[(3,6-dichloro-2-pyridinyl)methyl]-N-(pyridin-4-ylmethyl)ethanamine
PubChem CID62891299
Molecular FormulaC14H15Cl2N3
Molecular Weight296.20 g/mol
Exact Mass295.06
IUPAC NameN-[(3,6-dichloro-2-pyridinyl)methyl]-N-(pyridin-4-ylmethyl)ethanamine
SMILESCCN(Cc1ccncc1)Cc1nc(Cl)ccc1Cl
InChIInChI=1S/C14H15Cl2N3/c1-2-19(9-11-5-7-17-8-6-11)10-13-12(15)3-4-14(16)18-13/h3-8H,2,9-10H2,1H3
InChIKeyZQSHBBNSSCUFOH-UHFFFAOYSA-N
XLogP3.81
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.20
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(3,6-dichloro-2-pyridinyl)methyl]-N-(pyridin-4-ylmethyl)ethanamine?
The IUPAC name of N-[(3,6-dichloro-2-pyridinyl)methyl]-N-(pyridin-4-ylmethyl)ethanamine (CID 62891299) is N-[(3,6-dichloro-2-pyridinyl)methyl]-N-(pyridin-4-ylmethyl)ethanamine.
What is the SMILES notation for N-[(3,6-dichloro-2-pyridinyl)methyl]-N-(pyridin-4-ylmethyl)ethanamine?
The canonical SMILES for N-[(3,6-dichloro-2-pyridinyl)methyl]-N-(pyridin-4-ylmethyl)ethanamine is CCN(Cc1ccncc1)Cc1nc(Cl)ccc1Cl.
What is the InChIKey of N-[(3,6-dichloro-2-pyridinyl)methyl]-N-(pyridin-4-ylmethyl)ethanamine?
The InChIKey is ZQSHBBNSSCUFOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15Cl2N3/c1-2-19(9-11-5-7-17-8-6-11)10-13-12(15)3-4-14(16)18-13/h3-8H,2,9-10H2,1H3.
What are the key properties of N-[(3,6-dichloro-2-pyridinyl)methyl]-N-(pyridin-4-ylmethyl)ethanamine?
N-[(3,6-dichloro-2-pyridinyl)methyl]-N-(pyridin-4-ylmethyl)ethanamine has a molecular weight of 296.20 g/mol, XLogP of 3.81, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,6-dichloro-2-pyridinyl)methyl]-N-(pyridin-4-ylmethyl)ethanamine is sourced from PubChem (CID 62891299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).