5-chloro-6-[(2-methyl-1,4-oxazepan-4-yl)methyl]pyridin-2-amine

C12H18ClN3O — CID 55152585

IUPAC5-chloro-6-[(2-methyl-1,4-oxazepan-4-yl)methyl]pyridin-2-amine
SMILESCC1CN(Cc2nc(N)ccc2Cl)CCCO1
InChIInChI=1S/C12H18ClN3O/c1-9-7-16(5-2-6-17-9)8-11-10(13)3-4-12(14)15-11/h3-4,9H,2,5-8H2,1H3,(H2,14,15)
InChIKeyGHDYAQYVUXVZLF-UHFFFAOYSA-N
MW255.75 g/mol
LogP1.93
Rot. Bonds2

About 5-chloro-6-[(2-methyl-1,4-oxazepan-4-yl)methyl]pyridin-2-amine

5-chloro-6-[(2-methyl-1,4-oxazepan-4-yl)methyl]pyridin-2-amine (PubChem CID 55152585) has the molecular formula C12H18ClN3O and a molecular weight of 255.75 g/mol. Its IUPAC name is 5-chloro-6-[(2-methyl-1,4-oxazepan-4-yl)methyl]pyridin-2-amine.

Molecular Properties

Compound Name5-chloro-6-[(2-methyl-1,4-oxazepan-4-yl)methyl]pyridin-2-amine
PubChem CID55152585
Molecular FormulaC12H18ClN3O
Molecular Weight255.75 g/mol
Exact Mass255.11
IUPAC Name5-chloro-6-[(2-methyl-1,4-oxazepan-4-yl)methyl]pyridin-2-amine
SMILESCC1CN(Cc2nc(N)ccc2Cl)CCCO1
InChIInChI=1S/C12H18ClN3O/c1-9-7-16(5-2-6-17-9)8-11-10(13)3-4-12(14)15-11/h3-4,9H,2,5-8H2,1H3,(H2,14,15)
InChIKeyGHDYAQYVUXVZLF-UHFFFAOYSA-N
XLogP1.93
TPSA51.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.75
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-6-[(3-methoxypyrrolidin-1-yl)methyl]pyridin-2-amine
CID 103538581
5-chloro-6-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylmethyl)pyridin-2-amine
CID 66371184
5-chloro-6-[[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]methyl]pyridin-2-amine
CID 63010267
4-[(3,6-dichloro-2-pyridinyl)methyl]-2,6-dimethylmorpholine
CID 55127533
5-chloro-6-[(3-methylmorpholin-4-yl)methyl]pyridin-2-amine
CID 62892343
5-chloro-6-[(3-methoxy-3-methylpiperidin-1-yl)methyl]pyridin-2-amine
CID 107394965
4-[(2-chloro-4-pyridinyl)methyl]-2-methyl-1,4-oxazepane
CID 62988182
5-chloro-6-[(2,4-dimethyl-1,4-diazepan-1-yl)methyl]pyridin-2-amine
CID 114087556
2-[(2-methyl-1,4-oxazepan-4-yl)methyl]pyridin-4-amine
CID 79251771
4-[(4-chloro-1-methylpyrazolo[5,4-d]pyrimidin-6-yl)methyl]-2-methyl-1,4-oxazepane
CID 63220480
5-chloro-6-[(4-cyclopropylpiperazin-1-yl)methyl]pyridin-2-amine
CID 55127735
5-chloro-6-[(4-propylpiperidin-1-yl)methyl]pyridin-2-amine
CID 62892230

Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-[(2-methyl-1,4-oxazepan-4-yl)methyl]pyridin-2-amine?
The IUPAC name of 5-chloro-6-[(2-methyl-1,4-oxazepan-4-yl)methyl]pyridin-2-amine (CID 55152585) is 5-chloro-6-[(2-methyl-1,4-oxazepan-4-yl)methyl]pyridin-2-amine.
What is the SMILES notation for 5-chloro-6-[(2-methyl-1,4-oxazepan-4-yl)methyl]pyridin-2-amine?
The canonical SMILES for 5-chloro-6-[(2-methyl-1,4-oxazepan-4-yl)methyl]pyridin-2-amine is CC1CN(Cc2nc(N)ccc2Cl)CCCO1.
What is the InChIKey of 5-chloro-6-[(2-methyl-1,4-oxazepan-4-yl)methyl]pyridin-2-amine?
The InChIKey is GHDYAQYVUXVZLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClN3O/c1-9-7-16(5-2-6-17-9)8-11-10(13)3-4-12(14)15-11/h3-4,9H,2,5-8H2,1H3,(H2,14,15).
What are the key properties of 5-chloro-6-[(2-methyl-1,4-oxazepan-4-yl)methyl]pyridin-2-amine?
5-chloro-6-[(2-methyl-1,4-oxazepan-4-yl)methyl]pyridin-2-amine has a molecular weight of 255.75 g/mol, XLogP of 1.93, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6-[(2-methyl-1,4-oxazepan-4-yl)methyl]pyridin-2-amine is sourced from PubChem (CID 55152585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).