3-[[[4-[(3-chloro-2-pyridinyl)oxy]cyclohexyl]amino]methyl]-N,N-dimethylpyridin-4-amine

C19H25ClN4O — CID 126785748

IUPAC3-[[[4-[(3-chloro-2-pyridinyl)oxy]cyclohexyl]amino]methyl]-N,N-dimethylpyridin-4-amine
SMILESCN(C)c1ccncc1CNC1CCC(Oc2ncccc2Cl)CC1
InChIInChI=1S/C19H25ClN4O/c1-24(2)18-9-11-21-12-14(18)13-23-15-5-7-16(8-6-15)25-19-17(20)4-3-10-22-19/h3-4,9-12,15-16,23H,5-8,13H2,1-2H3
InChIKeyVSZPTDIEEVUMHH-UHFFFAOYSA-N
MW360.89 g/mol
LogP3.68
Rot. Bonds6

About 3-[[[4-[(3-chloro-2-pyridinyl)oxy]cyclohexyl]amino]methyl]-N,N-dimethylpyridin-4-amine

3-[[[4-[(3-chloro-2-pyridinyl)oxy]cyclohexyl]amino]methyl]-N,N-dimethylpyridin-4-amine (PubChem CID 126785748) has the molecular formula C19H25ClN4O and a molecular weight of 360.89 g/mol. Its IUPAC name is 3-[[[4-[(3-chloro-2-pyridinyl)oxy]cyclohexyl]amino]methyl]-N,N-dimethylpyridin-4-amine.

Molecular Properties

Compound Name3-[[[4-[(3-chloro-2-pyridinyl)oxy]cyclohexyl]amino]methyl]-N,N-dimethylpyridin-4-amine
PubChem CID126785748
Molecular FormulaC19H25ClN4O
Molecular Weight360.89 g/mol
Exact Mass360.17
IUPAC Name3-[[[4-[(3-chloro-2-pyridinyl)oxy]cyclohexyl]amino]methyl]-N,N-dimethylpyridin-4-amine
SMILESCN(C)c1ccncc1CNC1CCC(Oc2ncccc2Cl)CC1
InChIInChI=1S/C19H25ClN4O/c1-24(2)18-9-11-21-12-14(18)13-23-15-5-7-16(8-6-15)25-19-17(20)4-3-10-22-19/h3-4,9-12,15-16,23H,5-8,13H2,1-2H3
InChIKeyVSZPTDIEEVUMHH-UHFFFAOYSA-N
XLogP3.68
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.89
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-[[[4-[(3-chloro-2-pyridinyl)oxy]cyclohexyl]amino]methyl]-N,N-dimethylpyridin-4-amine with MolForge

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Related Compounds

4-[(3-chloro-2-pyridinyl)oxy]-N-(3-methoxy-2-methylpropyl)cyclohexan-1-amine
CID 126776390
N-[4-[(3-chloro-2-pyridinyl)oxy]cyclohexyl]-2-(dimethylamino)acetamide
CID 99823256
N'-[3-[(cyclopropylamino)methyl]-4-pyridinyl]-N,N,N'-trimethylethane-1,2-diamine
CID 81248054
N-[(4-cycloheptyloxy-3-pyridinyl)methyl]cyclopropanamine
CID 81250789
3-[(cyclopropylamino)methyl]-N-ethyl-N-propan-2-ylpyridin-4-amine
CID 81249309
3-[(cyclopropylamino)methyl]-N-methyl-N-(2,2,2-trifluoroethyl)pyridin-4-amine
CID 81246500
3-[(cyclopropylmethylamino)methyl]-N,N-dimethylpyridin-4-amine
CID 104624549
3-[(cyclopropylamino)methyl]-N-(2,4-dimethylphenyl)-N-methylpyridin-4-amine
CID 81249862
N-[(2-methoxy-3-pyridinyl)methyl]cyclopropanamine
CID 62292464
N-cyclopropyl-3-[(cyclopropylamino)methyl]-N-(2-methylpropyl)pyridin-4-amine
CID 81246811
3-[(cyclopropylamino)methyl]-N-[(2-fluorophenyl)methyl]-N-methylpyridin-4-amine
CID 81249517
3-[(cyclopropylamino)methyl]-N-(2-methoxyethyl)-N-propan-2-ylpyridin-4-amine
CID 82953192

Frequently Asked Questions

What is the IUPAC name of 3-[[[4-[(3-chloro-2-pyridinyl)oxy]cyclohexyl]amino]methyl]-N,N-dimethylpyridin-4-amine?
The IUPAC name of 3-[[[4-[(3-chloro-2-pyridinyl)oxy]cyclohexyl]amino]methyl]-N,N-dimethylpyridin-4-amine (CID 126785748) is 3-[[[4-[(3-chloro-2-pyridinyl)oxy]cyclohexyl]amino]methyl]-N,N-dimethylpyridin-4-amine.
What is the SMILES notation for 3-[[[4-[(3-chloro-2-pyridinyl)oxy]cyclohexyl]amino]methyl]-N,N-dimethylpyridin-4-amine?
The canonical SMILES for 3-[[[4-[(3-chloro-2-pyridinyl)oxy]cyclohexyl]amino]methyl]-N,N-dimethylpyridin-4-amine is CN(C)c1ccncc1CNC1CCC(Oc2ncccc2Cl)CC1.
What is the InChIKey of 3-[[[4-[(3-chloro-2-pyridinyl)oxy]cyclohexyl]amino]methyl]-N,N-dimethylpyridin-4-amine?
The InChIKey is VSZPTDIEEVUMHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25ClN4O/c1-24(2)18-9-11-21-12-14(18)13-23-15-5-7-16(8-6-15)25-19-17(20)4-3-10-22-19/h3-4,9-12,15-16,23H,5-8,13H2,1-2H3.
What are the key properties of 3-[[[4-[(3-chloro-2-pyridinyl)oxy]cyclohexyl]amino]methyl]-N,N-dimethylpyridin-4-amine?
3-[[[4-[(3-chloro-2-pyridinyl)oxy]cyclohexyl]amino]methyl]-N,N-dimethylpyridin-4-amine has a molecular weight of 360.89 g/mol, XLogP of 3.68, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[[4-[(3-chloro-2-pyridinyl)oxy]cyclohexyl]amino]methyl]-N,N-dimethylpyridin-4-amine is sourced from PubChem (CID 126785748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).