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

C15H23Cl2N3 — CID 102758516

IUPAC3,5-dichloro-N-methyl-6-(4-propylazepan-1-yl)pyridin-2-amine
SMILESCCCC1CCCN(c2nc(NC)c(Cl)cc2Cl)CC1
InChIInChI=1S/C15H23Cl2N3/c1-3-5-11-6-4-8-20(9-7-11)15-13(17)10-12(16)14(18-2)19-15/h10-11H,3-9H2,1-2H3,(H,18,19)
InChIKeyFVLCKOJMTOUXTK-UHFFFAOYSA-N
MW316.28 g/mol
LogP4.84
Rot. Bonds4

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

3,5-dichloro-N-methyl-6-(4-propylazepan-1-yl)pyridin-2-amine (PubChem CID 102758516) has the molecular formula C15H23Cl2N3 and a molecular weight of 316.28 g/mol. Its IUPAC name is 3,5-dichloro-N-methyl-6-(4-propylazepan-1-yl)pyridin-2-amine.

Molecular Properties

Compound Name3,5-dichloro-N-methyl-6-(4-propylazepan-1-yl)pyridin-2-amine
PubChem CID102758516
Molecular FormulaC15H23Cl2N3
Molecular Weight316.28 g/mol
Exact Mass315.13
IUPAC Name3,5-dichloro-N-methyl-6-(4-propylazepan-1-yl)pyridin-2-amine
SMILESCCCC1CCCN(c2nc(NC)c(Cl)cc2Cl)CC1
InChIInChI=1S/C15H23Cl2N3/c1-3-5-11-6-4-8-20(9-7-11)15-13(17)10-12(16)14(18-2)19-15/h10-11H,3-9H2,1-2H3,(H,18,19)
InChIKeyFVLCKOJMTOUXTK-UHFFFAOYSA-N
XLogP4.84
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.28
LogP ≤ 54.84
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-propylazepan-1-yl)pyridin-2-amine?
The IUPAC name of 3,5-dichloro-N-methyl-6-(4-propylazepan-1-yl)pyridin-2-amine (CID 102758516) is 3,5-dichloro-N-methyl-6-(4-propylazepan-1-yl)pyridin-2-amine.
What is the SMILES notation for 3,5-dichloro-N-methyl-6-(4-propylazepan-1-yl)pyridin-2-amine?
The canonical SMILES for 3,5-dichloro-N-methyl-6-(4-propylazepan-1-yl)pyridin-2-amine is CCCC1CCCN(c2nc(NC)c(Cl)cc2Cl)CC1.
What is the InChIKey of 3,5-dichloro-N-methyl-6-(4-propylazepan-1-yl)pyridin-2-amine?
The InChIKey is FVLCKOJMTOUXTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23Cl2N3/c1-3-5-11-6-4-8-20(9-7-11)15-13(17)10-12(16)14(18-2)19-15/h10-11H,3-9H2,1-2H3,(H,18,19).
What are the key properties of 3,5-dichloro-N-methyl-6-(4-propylazepan-1-yl)pyridin-2-amine?
3,5-dichloro-N-methyl-6-(4-propylazepan-1-yl)pyridin-2-amine has a molecular weight of 316.28 g/mol, XLogP of 4.84, 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-propylazepan-1-yl)pyridin-2-amine is sourced from PubChem (CID 102758516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).