3-N-ethyl-5-N-[(2-methoxy-4-pyridinyl)methyl]pyridine-3,5-diamine

C14H18N4O — CID 104534447

IUPAC3-N-ethyl-5-N-[(2-methoxy-4-pyridinyl)methyl]pyridine-3,5-diamine
SMILESCCNc1cncc(NCc2ccnc(OC)c2)c1
InChIInChI=1S/C14H18N4O/c1-3-16-12-7-13(10-15-9-12)18-8-11-4-5-17-14(6-11)19-2/h4-7,9-10,16,18H,3,8H2,1-2H3
InChIKeyIEBCJMWKASDAJR-UHFFFAOYSA-N
MW258.32 g/mol
LogP2.53
Rot. Bonds6

About 3-N-ethyl-5-N-[(2-methoxy-4-pyridinyl)methyl]pyridine-3,5-diamine

3-N-ethyl-5-N-[(2-methoxy-4-pyridinyl)methyl]pyridine-3,5-diamine (PubChem CID 104534447) has the molecular formula C14H18N4O and a molecular weight of 258.32 g/mol. Its IUPAC name is 3-N-ethyl-5-N-[(2-methoxy-4-pyridinyl)methyl]pyridine-3,5-diamine.

Molecular Properties

Compound Name3-N-ethyl-5-N-[(2-methoxy-4-pyridinyl)methyl]pyridine-3,5-diamine
PubChem CID104534447
Molecular FormulaC14H18N4O
Molecular Weight258.32 g/mol
Exact Mass258.15
IUPAC Name3-N-ethyl-5-N-[(2-methoxy-4-pyridinyl)methyl]pyridine-3,5-diamine
SMILESCCNc1cncc(NCc2ccnc(OC)c2)c1
InChIInChI=1S/C14H18N4O/c1-3-16-12-7-13(10-15-9-12)18-8-11-4-5-17-14(6-11)19-2/h4-7,9-10,16,18H,3,8H2,1-2H3
InChIKeyIEBCJMWKASDAJR-UHFFFAOYSA-N
XLogP2.53
TPSA59.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-N-ethyl-5-N-[(2-methoxy-4-pyridinyl)methyl]pyridine-3,5-diamine 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

5-(ethylamino)-N-[(2-methoxy-4-pyridinyl)methyl]pyridine-2-carboxamide
CID 104641230
2-N-[(2-methoxy-4-pyridinyl)methyl]pyrazine-2,6-diamine
CID 78988760
4-(ethylamino)-N-[(2-methoxy-4-pyridinyl)methyl]benzamide
CID 62991671
5-[(2-methoxy-4-pyridinyl)methylamino]pyridine-2-carboxylic acid
CID 113321615
1-(2-methoxy-4-pyridinyl)-N-methylmethanamine;hydrochloride
CID 154963549
5-iodo-N-[(2-methoxy-4-pyridinyl)methyl]pyrimidin-4-amine
CID 66343046
4-N-[(2-methoxy-4-pyridinyl)methyl]-6-N-methyl-5-propylpyrimidine-4,6-diamine
CID 80809447
6-N-[(2-methoxy-4-pyridinyl)methyl]-2-N-propylpyridine-2,6-diamine
CID 80831001
5-bromo-N-[(2-methoxy-4-pyridinyl)methyl]-3-methylpyridin-2-amine
CID 79718796
3-N-propyl-5-N-(pyridin-4-ylmethyl)pyridine-3,5-diamine
CID 104532744
2-fluoro-4-[(2-methoxy-4-pyridinyl)methylamino]benzenecarbothioamide
CID 115368302
N-[(2-methoxy-4-pyridinyl)methyl]-3,3-dimethylbutan-2-amine
CID 115708940

Frequently Asked Questions

What is the IUPAC name of 3-N-ethyl-5-N-[(2-methoxy-4-pyridinyl)methyl]pyridine-3,5-diamine?
The IUPAC name of 3-N-ethyl-5-N-[(2-methoxy-4-pyridinyl)methyl]pyridine-3,5-diamine (CID 104534447) is 3-N-ethyl-5-N-[(2-methoxy-4-pyridinyl)methyl]pyridine-3,5-diamine.
What is the SMILES notation for 3-N-ethyl-5-N-[(2-methoxy-4-pyridinyl)methyl]pyridine-3,5-diamine?
The canonical SMILES for 3-N-ethyl-5-N-[(2-methoxy-4-pyridinyl)methyl]pyridine-3,5-diamine is CCNc1cncc(NCc2ccnc(OC)c2)c1.
What is the InChIKey of 3-N-ethyl-5-N-[(2-methoxy-4-pyridinyl)methyl]pyridine-3,5-diamine?
The InChIKey is IEBCJMWKASDAJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O/c1-3-16-12-7-13(10-15-9-12)18-8-11-4-5-17-14(6-11)19-2/h4-7,9-10,16,18H,3,8H2,1-2H3.
What are the key properties of 3-N-ethyl-5-N-[(2-methoxy-4-pyridinyl)methyl]pyridine-3,5-diamine?
3-N-ethyl-5-N-[(2-methoxy-4-pyridinyl)methyl]pyridine-3,5-diamine has a molecular weight of 258.32 g/mol, XLogP of 2.53, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-ethyl-5-N-[(2-methoxy-4-pyridinyl)methyl]pyridine-3,5-diamine is sourced from PubChem (CID 104534447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).