6-ethoxy-2-N-[(4-methyl-3-pyridinyl)methyl]pyridine-2,5-diamine

C14H18N4O — CID 114954533

IUPAC6-ethoxy-2-N-[(4-methyl-3-pyridinyl)methyl]pyridine-2,5-diamine
SMILESCCOc1nc(NCc2cnccc2C)ccc1N
InChIInChI=1S/C14H18N4O/c1-3-19-14-12(15)4-5-13(18-14)17-9-11-8-16-7-6-10(11)2/h4-8H,3,9,15H2,1-2H3,(H,17,18)
InChIKeyOLBQAEDMZFUOMN-UHFFFAOYSA-N
MW258.32 g/mol
LogP2.38
Rot. Bonds5

About 6-ethoxy-2-N-[(4-methyl-3-pyridinyl)methyl]pyridine-2,5-diamine

6-ethoxy-2-N-[(4-methyl-3-pyridinyl)methyl]pyridine-2,5-diamine (PubChem CID 114954533) has the molecular formula C14H18N4O and a molecular weight of 258.32 g/mol. Its IUPAC name is 6-ethoxy-2-N-[(4-methyl-3-pyridinyl)methyl]pyridine-2,5-diamine.

Molecular Properties

Compound Name6-ethoxy-2-N-[(4-methyl-3-pyridinyl)methyl]pyridine-2,5-diamine
PubChem CID114954533
Molecular FormulaC14H18N4O
Molecular Weight258.32 g/mol
Exact Mass258.15
IUPAC Name6-ethoxy-2-N-[(4-methyl-3-pyridinyl)methyl]pyridine-2,5-diamine
SMILESCCOc1nc(NCc2cnccc2C)ccc1N
InChIInChI=1S/C14H18N4O/c1-3-19-14-12(15)4-5-13(18-14)17-9-11-8-16-7-6-10(11)2/h4-8H,3,9,15H2,1-2H3,(H,17,18)
InChIKeyOLBQAEDMZFUOMN-UHFFFAOYSA-N
XLogP2.38
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-ethoxy-2-N-[(4-methylphenyl)methyl]pyridine-2,5-diamine
CID 43261190
6-ethoxy-2-N-(2-pyridin-3-ylethyl)pyridine-2,5-diamine
CID 60896057
2-N-[(4-methyl-3-pyridinyl)methyl]pyridine-2,4-diamine
CID 114954576
4-ethoxy-5-fluoro-2-N-[(4-methyl-3-pyridinyl)methyl]benzene-1,2-diamine
CID 114954536
6-ethoxy-2-N-[(1-methylpyrazol-4-yl)methyl]pyridine-2,5-diamine
CID 61351162
4-N-[(4-methyl-3-pyridinyl)methyl]-2-propoxybenzene-1,4-diamine
CID 114954604
N-[(4-methyl-3-pyridinyl)methyl]pyridin-2-amine
CID 91611248
6-ethoxy-2-N-[(3-methoxyphenyl)methyl]pyridine-2,5-diamine
CID 61028652
6-propoxy-2-N-(pyridin-3-ylmethyl)pyridine-2,5-diamine
CID 43261223
6-ethoxy-2-N-(2,2,2-trifluoroethyl)pyridine-2,5-diamine
CID 43261092
6-ethoxy-2-N-(2-ethoxyethyl)pyridine-2,5-diamine
CID 43591109
2-N-[2-(dimethylamino)ethyl]-6-ethoxypyridine-2,5-diamine
CID 43260939

Frequently Asked Questions

What is the IUPAC name of 6-ethoxy-2-N-[(4-methyl-3-pyridinyl)methyl]pyridine-2,5-diamine?
The IUPAC name of 6-ethoxy-2-N-[(4-methyl-3-pyridinyl)methyl]pyridine-2,5-diamine (CID 114954533) is 6-ethoxy-2-N-[(4-methyl-3-pyridinyl)methyl]pyridine-2,5-diamine.
What is the SMILES notation for 6-ethoxy-2-N-[(4-methyl-3-pyridinyl)methyl]pyridine-2,5-diamine?
The canonical SMILES for 6-ethoxy-2-N-[(4-methyl-3-pyridinyl)methyl]pyridine-2,5-diamine is CCOc1nc(NCc2cnccc2C)ccc1N.
What is the InChIKey of 6-ethoxy-2-N-[(4-methyl-3-pyridinyl)methyl]pyridine-2,5-diamine?
The InChIKey is OLBQAEDMZFUOMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O/c1-3-19-14-12(15)4-5-13(18-14)17-9-11-8-16-7-6-10(11)2/h4-8H,3,9,15H2,1-2H3,(H,17,18).
What are the key properties of 6-ethoxy-2-N-[(4-methyl-3-pyridinyl)methyl]pyridine-2,5-diamine?
6-ethoxy-2-N-[(4-methyl-3-pyridinyl)methyl]pyridine-2,5-diamine has a molecular weight of 258.32 g/mol, XLogP of 2.38, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethoxy-2-N-[(4-methyl-3-pyridinyl)methyl]pyridine-2,5-diamine is sourced from PubChem (CID 114954533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).