3-chloro-2-N-[(1-ethylpiperidin-4-yl)methyl]pyridine-2,5-diamine

C13H21ClN4 — CID 114046183

IUPAC3-chloro-2-N-[(1-ethylpiperidin-4-yl)methyl]pyridine-2,5-diamine
SMILESCCN1CCC(CNc2ncc(N)cc2Cl)CC1
InChIInChI=1S/C13H21ClN4/c1-2-18-5-3-10(4-6-18)8-16-13-12(14)7-11(15)9-17-13/h7,9-10H,2-6,8,15H2,1H3,(H,16,17)
InChIKeyOQLTUVAZSGODAF-UHFFFAOYSA-N
MW268.79 g/mol
LogP2.46
Rot. Bonds4

About 3-chloro-2-N-[(1-ethylpiperidin-4-yl)methyl]pyridine-2,5-diamine

3-chloro-2-N-[(1-ethylpiperidin-4-yl)methyl]pyridine-2,5-diamine (PubChem CID 114046183) has the molecular formula C13H21ClN4 and a molecular weight of 268.79 g/mol. Its IUPAC name is 3-chloro-2-N-[(1-ethylpiperidin-4-yl)methyl]pyridine-2,5-diamine.

Molecular Properties

Compound Name3-chloro-2-N-[(1-ethylpiperidin-4-yl)methyl]pyridine-2,5-diamine
PubChem CID114046183
Molecular FormulaC13H21ClN4
Molecular Weight268.79 g/mol
Exact Mass268.15
IUPAC Name3-chloro-2-N-[(1-ethylpiperidin-4-yl)methyl]pyridine-2,5-diamine
SMILESCCN1CCC(CNc2ncc(N)cc2Cl)CC1
InChIInChI=1S/C13H21ClN4/c1-2-18-5-3-10(4-6-18)8-16-13-12(14)7-11(15)9-17-13/h7,9-10H,2-6,8,15H2,1H3,(H,16,17)
InChIKeyOQLTUVAZSGODAF-UHFFFAOYSA-N
XLogP2.46
TPSA54.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.79
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-N-[(1-ethylpiperidin-4-yl)methyl]-5-methylpyridine-2,4-diamine
CID 83265626
3,5-dichloro-N-[(1-methylpyrrolidin-3-yl)methyl]pyridin-2-amine
CID 60855947
methyl 5-amino-3-chloro-2-[(1-ethylpyrrolidin-3-yl)methylamino]benzoate
CID 107194299
3-chloro-2-N-[2-(4-methylcyclohexyl)ethyl]pyridine-2,5-diamine
CID 114046232
5-bromo-N-[(1-ethylpiperidin-4-yl)methyl]pyrimidin-4-amine
CID 66340780
3-bromo-2-N-[(4-ethylcyclohexyl)methyl]pyridine-2,5-diamine
CID 79535447
4-N-[(1-ethylpiperidin-4-yl)methyl]-1H-pyrazole-4,5-diamine
CID 114999006
3-bromo-2-N-[(1-ethylpyrrolidin-3-yl)methyl]-4-methylpyridine-2,5-diamine
CID 113420407
5-chloro-4-N-[(1-ethylpyrrolidin-3-yl)methyl]-2-N-methylpyrimidine-2,4-diamine
CID 80789803
3-methyl-2-N-[(4-methylcyclohexyl)methyl]pyridine-2,5-diamine
CID 55176213
2-chloro-N-[(1-ethylpiperidin-4-yl)methyl]thieno[2,3-d]pyrimidin-4-amine
CID 103321274
4-N-[(1-ethylpiperidin-4-yl)methyl]-5-methyl-6-N-propylpyrimidine-4,6-diamine
CID 80791601

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-N-[(1-ethylpiperidin-4-yl)methyl]pyridine-2,5-diamine?
The IUPAC name of 3-chloro-2-N-[(1-ethylpiperidin-4-yl)methyl]pyridine-2,5-diamine (CID 114046183) is 3-chloro-2-N-[(1-ethylpiperidin-4-yl)methyl]pyridine-2,5-diamine.
What is the SMILES notation for 3-chloro-2-N-[(1-ethylpiperidin-4-yl)methyl]pyridine-2,5-diamine?
The canonical SMILES for 3-chloro-2-N-[(1-ethylpiperidin-4-yl)methyl]pyridine-2,5-diamine is CCN1CCC(CNc2ncc(N)cc2Cl)CC1.
What is the InChIKey of 3-chloro-2-N-[(1-ethylpiperidin-4-yl)methyl]pyridine-2,5-diamine?
The InChIKey is OQLTUVAZSGODAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21ClN4/c1-2-18-5-3-10(4-6-18)8-16-13-12(14)7-11(15)9-17-13/h7,9-10H,2-6,8,15H2,1H3,(H,16,17).
What are the key properties of 3-chloro-2-N-[(1-ethylpiperidin-4-yl)methyl]pyridine-2,5-diamine?
3-chloro-2-N-[(1-ethylpiperidin-4-yl)methyl]pyridine-2,5-diamine has a molecular weight of 268.79 g/mol, XLogP of 2.46, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-N-[(1-ethylpiperidin-4-yl)methyl]pyridine-2,5-diamine is sourced from PubChem (CID 114046183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).