5-chloro-N-methyl-4-(methylaminomethyl)-N-(oxan-4-ylmethyl)pyridin-2-amine

C14H22ClN3O — CID 114926517

IUPAC5-chloro-N-methyl-4-(methylaminomethyl)-N-(oxan-4-ylmethyl)pyridin-2-amine
SMILESCNCc1cc(N(C)CC2CCOCC2)ncc1Cl
InChIInChI=1S/C14H22ClN3O/c1-16-8-12-7-14(17-9-13(12)15)18(2)10-11-3-5-19-6-4-11/h7,9,11,16H,3-6,8,10H2,1-2H3
InChIKeyVZCCMWYRHLYGGL-UHFFFAOYSA-N
MW283.80 g/mol
LogP2.32
Rot. Bonds5

About 5-chloro-N-methyl-4-(methylaminomethyl)-N-(oxan-4-ylmethyl)pyridin-2-amine

5-chloro-N-methyl-4-(methylaminomethyl)-N-(oxan-4-ylmethyl)pyridin-2-amine (PubChem CID 114926517) has the molecular formula C14H22ClN3O and a molecular weight of 283.80 g/mol. Its IUPAC name is 5-chloro-N-methyl-4-(methylaminomethyl)-N-(oxan-4-ylmethyl)pyridin-2-amine.

Molecular Properties

Compound Name5-chloro-N-methyl-4-(methylaminomethyl)-N-(oxan-4-ylmethyl)pyridin-2-amine
PubChem CID114926517
Molecular FormulaC14H22ClN3O
Molecular Weight283.80 g/mol
Exact Mass283.15
IUPAC Name5-chloro-N-methyl-4-(methylaminomethyl)-N-(oxan-4-ylmethyl)pyridin-2-amine
SMILESCNCc1cc(N(C)CC2CCOCC2)ncc1Cl
InChIInChI=1S/C14H22ClN3O/c1-16-8-12-7-14(17-9-13(12)15)18(2)10-11-3-5-19-6-4-11/h7,9,11,16H,3-6,8,10H2,1-2H3
InChIKeyVZCCMWYRHLYGGL-UHFFFAOYSA-N
XLogP2.32
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.80
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-N-(cyclopentylmethyl)-4-[(cyclopropylamino)methyl]-N-methylpyridin-2-amine
CID 114926476
5-chloro-N-methyl-N-(oxan-3-ylmethyl)-4-[(propan-2-ylamino)methyl]pyridin-2-amine
CID 114926513
5-chloro-N-(cyclobutylmethyl)-N-methyl-4-(propylaminomethyl)pyridin-2-amine
CID 114926307
[5-chloro-2-[cyclopentylmethyl(methyl)amino]-4-pyridinyl]methanol
CID 114920404
5-chloro-N-methyl-N-(oxolan-2-ylmethyl)-4-[(propan-2-ylamino)methyl]pyridin-2-amine
CID 114925937
N-methyl-6-(methylaminomethyl)-N-(oxan-4-ylmethyl)pyridin-2-amine
CID 55228186
5-chloro-N-(2-methoxyethyl)-N-methyl-4-(methylaminomethyl)pyridin-2-amine
CID 114926159
5-chloro-N-(4,4-dimethylcyclohexyl)-N-methyl-4-(methylaminomethyl)pyridin-2-amine
CID 114926801
5-chloro-N-[(2-chlorophenyl)methyl]-N-methyl-4-(methylaminomethyl)pyridin-2-amine
CID 114926249
[5-chloro-2-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]-4-pyridinyl]methanol
CID 114920398
[6-[methyl(oxan-4-ylmethyl)amino]pyrimidin-4-yl]cyanamide
CID 115264692
5-chloro-N-methyl-4-(methylaminomethyl)-N-[(4-methylphenyl)methyl]pyridin-2-amine
CID 114925260

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-methyl-4-(methylaminomethyl)-N-(oxan-4-ylmethyl)pyridin-2-amine?
The IUPAC name of 5-chloro-N-methyl-4-(methylaminomethyl)-N-(oxan-4-ylmethyl)pyridin-2-amine (CID 114926517) is 5-chloro-N-methyl-4-(methylaminomethyl)-N-(oxan-4-ylmethyl)pyridin-2-amine.
What is the SMILES notation for 5-chloro-N-methyl-4-(methylaminomethyl)-N-(oxan-4-ylmethyl)pyridin-2-amine?
The canonical SMILES for 5-chloro-N-methyl-4-(methylaminomethyl)-N-(oxan-4-ylmethyl)pyridin-2-amine is CNCc1cc(N(C)CC2CCOCC2)ncc1Cl.
What is the InChIKey of 5-chloro-N-methyl-4-(methylaminomethyl)-N-(oxan-4-ylmethyl)pyridin-2-amine?
The InChIKey is VZCCMWYRHLYGGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22ClN3O/c1-16-8-12-7-14(17-9-13(12)15)18(2)10-11-3-5-19-6-4-11/h7,9,11,16H,3-6,8,10H2,1-2H3.
What are the key properties of 5-chloro-N-methyl-4-(methylaminomethyl)-N-(oxan-4-ylmethyl)pyridin-2-amine?
5-chloro-N-methyl-4-(methylaminomethyl)-N-(oxan-4-ylmethyl)pyridin-2-amine has a molecular weight of 283.80 g/mol, XLogP of 2.32, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-methyl-4-(methylaminomethyl)-N-(oxan-4-ylmethyl)pyridin-2-amine is sourced from PubChem (CID 114926517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).