2-N-(1-ethylpiperidin-3-yl)-6-methoxypyridine-2,3-diamine

C13H22N4O — CID 113286474

IUPAC2-N-(1-ethylpiperidin-3-yl)-6-methoxypyridine-2,3-diamine
SMILESCCN1CCCC(Nc2nc(OC)ccc2N)C1
InChIInChI=1S/C13H22N4O/c1-3-17-8-4-5-10(9-17)15-13-11(14)6-7-12(16-13)18-2/h6-7,10H,3-5,8-9,14H2,1-2H3,(H,15,16)
InChIKeyDNLVIPLLYXWFFK-UHFFFAOYSA-N
MW250.35 g/mol
LogP1.57
Rot. Bonds4

About 2-N-(1-ethylpiperidin-3-yl)-6-methoxypyridine-2,3-diamine

2-N-(1-ethylpiperidin-3-yl)-6-methoxypyridine-2,3-diamine (PubChem CID 113286474) has the molecular formula C13H22N4O and a molecular weight of 250.35 g/mol. Its IUPAC name is 2-N-(1-ethylpiperidin-3-yl)-6-methoxypyridine-2,3-diamine.

Molecular Properties

Compound Name2-N-(1-ethylpiperidin-3-yl)-6-methoxypyridine-2,3-diamine
PubChem CID113286474
Molecular FormulaC13H22N4O
Molecular Weight250.35 g/mol
Exact Mass250.18
IUPAC Name2-N-(1-ethylpiperidin-3-yl)-6-methoxypyridine-2,3-diamine
SMILESCCN1CCCC(Nc2nc(OC)ccc2N)C1
InChIInChI=1S/C13H22N4O/c1-3-17-8-4-5-10(9-17)15-13-11(14)6-7-12(16-13)18-2/h6-7,10H,3-5,8-9,14H2,1-2H3,(H,15,16)
InChIKeyDNLVIPLLYXWFFK-UHFFFAOYSA-N
XLogP1.57
TPSA63.41 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.35
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-N-cyclohexyl-6-methoxypyridine-2,3-diamine
CID 115320270
3-N-(1-ethylpiperidin-3-yl)-1-methylpyrazole-3,4-diamine
CID 103078216
2-N-(1-ethylpiperidin-3-yl)-6-methoxy-1,3,5-triazine-2,4-diamine
CID 80800686
6-methoxy-2-N-(1-methylsulfonylpiperidin-4-yl)pyridine-2,3-diamine
CID 115320463
5-chloro-4-N-(1-ethylpiperidin-3-yl)pyrimidine-2,4-diamine
CID 80800762
6-methoxy-2-N-[(1-methylpiperidin-3-yl)methyl]pyridine-2,3-diamine
CID 113286507
4-bromo-2-N-(1-ethylpiperidin-3-yl)benzene-1,2-diamine
CID 65343642
N-(1-ethylpiperidin-3-yl)-5-methoxyisoquinolin-1-amine
CID 106537883
N-(1-ethylpiperidin-3-yl)-2-hydrazinyl-5-methylpyrimidin-4-amine
CID 80897250
4-amino-N-(1-ethylpiperidin-3-yl)-3-methoxybenzenesulfonamide
CID 81440822
6-methoxy-2-N-(2-methylcyclohexyl)pyridine-2,3-diamine
CID 113286375
6-methoxy-2-N-(1-pyrrolidin-1-ylpropan-2-yl)pyridine-2,3-diamine
CID 115320544

Frequently Asked Questions

What is the IUPAC name of 2-N-(1-ethylpiperidin-3-yl)-6-methoxypyridine-2,3-diamine?
The IUPAC name of 2-N-(1-ethylpiperidin-3-yl)-6-methoxypyridine-2,3-diamine (CID 113286474) is 2-N-(1-ethylpiperidin-3-yl)-6-methoxypyridine-2,3-diamine.
What is the SMILES notation for 2-N-(1-ethylpiperidin-3-yl)-6-methoxypyridine-2,3-diamine?
The canonical SMILES for 2-N-(1-ethylpiperidin-3-yl)-6-methoxypyridine-2,3-diamine is CCN1CCCC(Nc2nc(OC)ccc2N)C1.
What is the InChIKey of 2-N-(1-ethylpiperidin-3-yl)-6-methoxypyridine-2,3-diamine?
The InChIKey is DNLVIPLLYXWFFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O/c1-3-17-8-4-5-10(9-17)15-13-11(14)6-7-12(16-13)18-2/h6-7,10H,3-5,8-9,14H2,1-2H3,(H,15,16).
What are the key properties of 2-N-(1-ethylpiperidin-3-yl)-6-methoxypyridine-2,3-diamine?
2-N-(1-ethylpiperidin-3-yl)-6-methoxypyridine-2,3-diamine has a molecular weight of 250.35 g/mol, XLogP of 1.57, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(1-ethylpiperidin-3-yl)-6-methoxypyridine-2,3-diamine is sourced from PubChem (CID 113286474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).