3,5-dichloro-N-methyl-6-(4-propylpiperidin-1-yl)pyridin-2-amine

C14H21Cl2N3 — CID 102757811

IUPAC3,5-dichloro-N-methyl-6-(4-propylpiperidin-1-yl)pyridin-2-amine
SMILESCCCC1CCN(c2nc(NC)c(Cl)cc2Cl)CC1
InChIInChI=1S/C14H21Cl2N3/c1-3-4-10-5-7-19(8-6-10)14-12(16)9-11(15)13(17-2)18-14/h9-10H,3-8H2,1-2H3,(H,17,18)
InChIKeyYBTABIHWLXTADC-UHFFFAOYSA-N
MW302.25 g/mol
LogP4.45
Rot. Bonds4

About 3,5-dichloro-N-methyl-6-(4-propylpiperidin-1-yl)pyridin-2-amine

3,5-dichloro-N-methyl-6-(4-propylpiperidin-1-yl)pyridin-2-amine (PubChem CID 102757811) has the molecular formula C14H21Cl2N3 and a molecular weight of 302.25 g/mol. Its IUPAC name is 3,5-dichloro-N-methyl-6-(4-propylpiperidin-1-yl)pyridin-2-amine.

Molecular Properties

Compound Name3,5-dichloro-N-methyl-6-(4-propylpiperidin-1-yl)pyridin-2-amine
PubChem CID102757811
Molecular FormulaC14H21Cl2N3
Molecular Weight302.25 g/mol
Exact Mass301.11
IUPAC Name3,5-dichloro-N-methyl-6-(4-propylpiperidin-1-yl)pyridin-2-amine
SMILESCCCC1CCN(c2nc(NC)c(Cl)cc2Cl)CC1
InChIInChI=1S/C14H21Cl2N3/c1-3-4-10-5-7-19(8-6-10)14-12(16)9-11(15)13(17-2)18-14/h9-10H,3-8H2,1-2H3,(H,17,18)
InChIKeyYBTABIHWLXTADC-UHFFFAOYSA-N
XLogP4.45
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.25
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-N-methyl-6-(4-propylpiperidin-1-yl)pyridin-2-amine?
The IUPAC name of 3,5-dichloro-N-methyl-6-(4-propylpiperidin-1-yl)pyridin-2-amine (CID 102757811) is 3,5-dichloro-N-methyl-6-(4-propylpiperidin-1-yl)pyridin-2-amine.
What is the SMILES notation for 3,5-dichloro-N-methyl-6-(4-propylpiperidin-1-yl)pyridin-2-amine?
The canonical SMILES for 3,5-dichloro-N-methyl-6-(4-propylpiperidin-1-yl)pyridin-2-amine is CCCC1CCN(c2nc(NC)c(Cl)cc2Cl)CC1.
What is the InChIKey of 3,5-dichloro-N-methyl-6-(4-propylpiperidin-1-yl)pyridin-2-amine?
The InChIKey is YBTABIHWLXTADC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21Cl2N3/c1-3-4-10-5-7-19(8-6-10)14-12(16)9-11(15)13(17-2)18-14/h9-10H,3-8H2,1-2H3,(H,17,18).
What are the key properties of 3,5-dichloro-N-methyl-6-(4-propylpiperidin-1-yl)pyridin-2-amine?
3,5-dichloro-N-methyl-6-(4-propylpiperidin-1-yl)pyridin-2-amine has a molecular weight of 302.25 g/mol, XLogP of 4.45, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-N-methyl-6-(4-propylpiperidin-1-yl)pyridin-2-amine is sourced from PubChem (CID 102757811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).