6-(azepan-1-yl)-3,5-dichloro-N-methylpyridin-2-amine

C12H17Cl2N3 — CID 102755321

IUPAC6-(azepan-1-yl)-3,5-dichloro-N-methylpyridin-2-amine
SMILESCNc1nc(N2CCCCCC2)c(Cl)cc1Cl
InChIInChI=1S/C12H17Cl2N3/c1-15-11-9(13)8-10(14)12(16-11)17-6-4-2-3-5-7-17/h8H,2-7H2,1H3,(H,15,16)
InChIKeyJYZDPEAYNVJMAP-UHFFFAOYSA-N
MW274.19 g/mol
LogP3.81
Rot. Bonds2

About 6-(azepan-1-yl)-3,5-dichloro-N-methylpyridin-2-amine

6-(azepan-1-yl)-3,5-dichloro-N-methylpyridin-2-amine (PubChem CID 102755321) has the molecular formula C12H17Cl2N3 and a molecular weight of 274.19 g/mol. Its IUPAC name is 6-(azepan-1-yl)-3,5-dichloro-N-methylpyridin-2-amine.

Molecular Properties

Compound Name6-(azepan-1-yl)-3,5-dichloro-N-methylpyridin-2-amine
PubChem CID102755321
Molecular FormulaC12H17Cl2N3
Molecular Weight274.19 g/mol
Exact Mass273.08
IUPAC Name6-(azepan-1-yl)-3,5-dichloro-N-methylpyridin-2-amine
SMILESCNc1nc(N2CCCCCC2)c(Cl)cc1Cl
InChIInChI=1S/C12H17Cl2N3/c1-15-11-9(13)8-10(14)12(16-11)17-6-4-2-3-5-7-17/h8H,2-7H2,1H3,(H,15,16)
InChIKeyJYZDPEAYNVJMAP-UHFFFAOYSA-N
XLogP3.81
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.19
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3,5-dichloro-6-(methylamino)-2-pyridinyl]piperidin-4-ol
CID 102755349
3,5-dichloro-N-methyl-6-(4-propylazepan-1-yl)pyridin-2-amine
CID 102758516
3,5-dichloro-N-propyl-6-pyrrolidin-1-ylpyridin-2-amine
CID 102755297
3,5-dichloro-N-methyl-6-[4-(2-methylpropyl)piperazin-1-yl]pyridin-2-amine
CID 102757965
3,5-dichloro-N-methyl-6-(4-propylpiperidin-1-yl)pyridin-2-amine
CID 102757811
4-[3,5-dichloro-6-(methylamino)-2-pyridinyl]piperazin-2-one
CID 102755341
3,5-dichloro-6-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-N-methylpyridin-2-amine
CID 102758125
5-chloro-N-methyl-4-piperidin-1-ylpyrimidin-2-amine
CID 80764655
6-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-3,5-dichloro-N-methylpyridin-2-amine
CID 102760209
3,5-dichloro-6-(2-ethylpyrrolidin-1-yl)-N-methylpyridin-2-amine
CID 102756425
[3,5-dichloro-6-(4-methylpiperazin-1-yl)-2-pyridinyl]hydrazine
CID 102762367
3,5-dichloro-6-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-N-methylpyridin-2-amine
CID 102758009

Frequently Asked Questions

What is the IUPAC name of 6-(azepan-1-yl)-3,5-dichloro-N-methylpyridin-2-amine?
The IUPAC name of 6-(azepan-1-yl)-3,5-dichloro-N-methylpyridin-2-amine (CID 102755321) is 6-(azepan-1-yl)-3,5-dichloro-N-methylpyridin-2-amine.
What is the SMILES notation for 6-(azepan-1-yl)-3,5-dichloro-N-methylpyridin-2-amine?
The canonical SMILES for 6-(azepan-1-yl)-3,5-dichloro-N-methylpyridin-2-amine is CNc1nc(N2CCCCCC2)c(Cl)cc1Cl.
What is the InChIKey of 6-(azepan-1-yl)-3,5-dichloro-N-methylpyridin-2-amine?
The InChIKey is JYZDPEAYNVJMAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17Cl2N3/c1-15-11-9(13)8-10(14)12(16-11)17-6-4-2-3-5-7-17/h8H,2-7H2,1H3,(H,15,16).
What are the key properties of 6-(azepan-1-yl)-3,5-dichloro-N-methylpyridin-2-amine?
6-(azepan-1-yl)-3,5-dichloro-N-methylpyridin-2-amine has a molecular weight of 274.19 g/mol, XLogP of 3.81, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(azepan-1-yl)-3,5-dichloro-N-methylpyridin-2-amine is sourced from PubChem (CID 102755321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).