N-[(2-chloro-4-pyridinyl)methyl]-N-(pyridin-4-ylmethyl)ethanamine

C14H16ClN3 — CID 62470558

IUPACN-[(2-chloro-4-pyridinyl)methyl]-N-(pyridin-4-ylmethyl)ethanamine
SMILESCCN(Cc1ccncc1)Cc1ccnc(Cl)c1
InChIInChI=1S/C14H16ClN3/c1-2-18(10-12-3-6-16-7-4-12)11-13-5-8-17-14(15)9-13/h3-9H,2,10-11H2,1H3
InChIKeyMEPZFNIEFYCALK-UHFFFAOYSA-N
MW261.76 g/mol
LogP3.15
Rot. Bonds5

About N-[(2-chloro-4-pyridinyl)methyl]-N-(pyridin-4-ylmethyl)ethanamine

N-[(2-chloro-4-pyridinyl)methyl]-N-(pyridin-4-ylmethyl)ethanamine (PubChem CID 62470558) has the molecular formula C14H16ClN3 and a molecular weight of 261.76 g/mol. Its IUPAC name is N-[(2-chloro-4-pyridinyl)methyl]-N-(pyridin-4-ylmethyl)ethanamine.

Molecular Properties

Compound NameN-[(2-chloro-4-pyridinyl)methyl]-N-(pyridin-4-ylmethyl)ethanamine
PubChem CID62470558
Molecular FormulaC14H16ClN3
Molecular Weight261.76 g/mol
Exact Mass261.10
IUPAC NameN-[(2-chloro-4-pyridinyl)methyl]-N-(pyridin-4-ylmethyl)ethanamine
SMILESCCN(Cc1ccncc1)Cc1ccnc(Cl)c1
InChIInChI=1S/C14H16ClN3/c1-2-18(10-12-3-6-16-7-4-12)11-13-5-8-17-14(15)9-13/h3-9H,2,10-11H2,1H3
InChIKeyMEPZFNIEFYCALK-UHFFFAOYSA-N
XLogP3.15
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.76
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[(2-chloro-4-pyridinyl)methyl]-N-(pyridin-4-ylmethyl)ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[(2-chloro-4-pyridinyl)methyl-ethylamino]propan-1-ol
CID 115666093
N-[(3,6-dichloro-2-pyridinyl)methyl]-N-(pyridin-4-ylmethyl)ethanamine
CID 62891299
N-[(2-chloro-4-pyridinyl)methyl]-N-ethyl-2-methylpropan-2-amine
CID 118531495
4-chloro-3-[[ethyl(pyridin-4-ylmethyl)amino]methyl]aniline
CID 61450760
4-chloro-2-[[ethyl(pyridin-4-ylmethyl)amino]methyl]aniline
CID 79583108
2-[(2-chloro-4-pyridinyl)methyl-(cyanomethyl)amino]acetonitrile
CID 62469809
N-[(2-chloro-4-pyridinyl)methyl]-N-ethylcyclopropanamine
CID 62301725
2-[(2-chloro-4-pyridinyl)methyl-propylamino]-N,N-dimethylacetamide
CID 62305807
N-[(2-chloro-4-pyridinyl)methyl]-3-methoxy-N-(2-methoxyethyl)propan-1-amine
CID 62305635
N'-[(2-chloro-4-pyridinyl)methyl]-N,N-dimethyl-N'-(2-methylpropyl)ethane-1,2-diamine
CID 62472378
N-[(2-chloro-4-pyridinyl)methyl]-N-(2-methylpropyl)pentan-3-amine
CID 79484205
4-N-[(2-chloro-4-pyridinyl)methyl]-4-N-ethylcyclohexane-1,4-diamine
CID 79115783

Frequently Asked Questions

What is the IUPAC name of N-[(2-chloro-4-pyridinyl)methyl]-N-(pyridin-4-ylmethyl)ethanamine?
The IUPAC name of N-[(2-chloro-4-pyridinyl)methyl]-N-(pyridin-4-ylmethyl)ethanamine (CID 62470558) is N-[(2-chloro-4-pyridinyl)methyl]-N-(pyridin-4-ylmethyl)ethanamine.
What is the SMILES notation for N-[(2-chloro-4-pyridinyl)methyl]-N-(pyridin-4-ylmethyl)ethanamine?
The canonical SMILES for N-[(2-chloro-4-pyridinyl)methyl]-N-(pyridin-4-ylmethyl)ethanamine is CCN(Cc1ccncc1)Cc1ccnc(Cl)c1.
What is the InChIKey of N-[(2-chloro-4-pyridinyl)methyl]-N-(pyridin-4-ylmethyl)ethanamine?
The InChIKey is MEPZFNIEFYCALK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN3/c1-2-18(10-12-3-6-16-7-4-12)11-13-5-8-17-14(15)9-13/h3-9H,2,10-11H2,1H3.
What are the key properties of N-[(2-chloro-4-pyridinyl)methyl]-N-(pyridin-4-ylmethyl)ethanamine?
N-[(2-chloro-4-pyridinyl)methyl]-N-(pyridin-4-ylmethyl)ethanamine has a molecular weight of 261.76 g/mol, XLogP of 3.15, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chloro-4-pyridinyl)methyl]-N-(pyridin-4-ylmethyl)ethanamine is sourced from PubChem (CID 62470558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).