5-bromo-N-(4-fluorocyclohexyl)-4-(morpholin-4-ylmethyl)pyridin-2-amine

C16H23BrFN3O — CID 163265444

IUPAC5-bromo-N-(4-fluorocyclohexyl)-4-(morpholin-4-ylmethyl)pyridin-2-amine
SMILESFC1CCC(Nc2cc(CN3CCOCC3)c(Br)cn2)CC1
InChIInChI=1S/C16H23BrFN3O/c17-15-10-19-16(20-14-3-1-13(18)2-4-14)9-12(15)11-21-5-7-22-8-6-21/h9-10,13-14H,1-8,11H2,(H,19,20)
InChIKeyYOQMMDOQVZWNOT-UHFFFAOYSA-N
MW372.28 g/mol
LogP3.37
Rot. Bonds4

About 5-bromo-N-(4-fluorocyclohexyl)-4-(morpholin-4-ylmethyl)pyridin-2-amine

5-bromo-N-(4-fluorocyclohexyl)-4-(morpholin-4-ylmethyl)pyridin-2-amine (PubChem CID 163265444) has the molecular formula C16H23BrFN3O and a molecular weight of 372.28 g/mol. Its IUPAC name is 5-bromo-N-(4-fluorocyclohexyl)-4-(morpholin-4-ylmethyl)pyridin-2-amine.

Molecular Properties

Compound Name5-bromo-N-(4-fluorocyclohexyl)-4-(morpholin-4-ylmethyl)pyridin-2-amine
PubChem CID163265444
Molecular FormulaC16H23BrFN3O
Molecular Weight372.28 g/mol
Exact Mass371.10
IUPAC Name5-bromo-N-(4-fluorocyclohexyl)-4-(morpholin-4-ylmethyl)pyridin-2-amine
SMILESFC1CCC(Nc2cc(CN3CCOCC3)c(Br)cn2)CC1
InChIInChI=1S/C16H23BrFN3O/c17-15-10-19-16(20-14-3-1-13(18)2-4-14)9-12(15)11-21-5-7-22-8-6-21/h9-10,13-14H,1-8,11H2,(H,19,20)
InChIKeyYOQMMDOQVZWNOT-UHFFFAOYSA-N
XLogP3.37
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.28
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(5-Bromo-2-pyridyl)-3-(2-morpholinoethyl)thiourea
CID 3001930
[2-(Morpholin-4-yl)pyridin-4-yl]methanamine
CID 7537568
4-(5-Bromopyridin-2-yl)morpholine
CID 10966724
1-(5-Bromo-pyridin-2-yl)-3-morpholin-4-ylmethyl-thiourea
CID 44287853
5-Bromo-(2-morpholinoethylamino)pyridine
CID 23438259
N-[2-(4-morpholinyl)ethyl]-5-(trifluoromethyl)-2-pyridinamine
CID 2990720
1-(5-bromo-3-methanimidoyl-2-pyridinyl)-N-cyclohexylpiperidin-4-amine
CID 118263671
1-(3-Bromo-5-methyl-2-pyridinyl)-4-(cyclohexylamino)piperidin-3-ol
CID 118263675
1-(5-Bromo-3-methanimidoyl-2-pyridinyl)-4-(cyclohexylamino)piperidin-3-ol
CID 118263690
(3R,4R)-1-(5-bromo-3-ethanimidoyl-2-pyridinyl)-4-(cyclohexylamino)piperidin-3-ol
CID 118263692
(3R,4R)-1-(5-bromo-3-methanimidoyl-2-pyridinyl)-4-(cyclohexylamino)piperidin-3-ol
CID 118263707
1-[5-bromo-3-[(E)-methoxyiminomethyl]-2-pyridinyl]-N-cyclohexylpiperidin-4-amine
CID 137529693

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(4-fluorocyclohexyl)-4-(morpholin-4-ylmethyl)pyridin-2-amine?
The IUPAC name of 5-bromo-N-(4-fluorocyclohexyl)-4-(morpholin-4-ylmethyl)pyridin-2-amine (CID 163265444) is 5-bromo-N-(4-fluorocyclohexyl)-4-(morpholin-4-ylmethyl)pyridin-2-amine.
What is the SMILES notation for 5-bromo-N-(4-fluorocyclohexyl)-4-(morpholin-4-ylmethyl)pyridin-2-amine?
The canonical SMILES for 5-bromo-N-(4-fluorocyclohexyl)-4-(morpholin-4-ylmethyl)pyridin-2-amine is FC1CCC(Nc2cc(CN3CCOCC3)c(Br)cn2)CC1.
What is the InChIKey of 5-bromo-N-(4-fluorocyclohexyl)-4-(morpholin-4-ylmethyl)pyridin-2-amine?
The InChIKey is YOQMMDOQVZWNOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23BrFN3O/c17-15-10-19-16(20-14-3-1-13(18)2-4-14)9-12(15)11-21-5-7-22-8-6-21/h9-10,13-14H,1-8,11H2,(H,19,20).
What are the key properties of 5-bromo-N-(4-fluorocyclohexyl)-4-(morpholin-4-ylmethyl)pyridin-2-amine?
5-bromo-N-(4-fluorocyclohexyl)-4-(morpholin-4-ylmethyl)pyridin-2-amine has a molecular weight of 372.28 g/mol, XLogP of 3.37, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(4-fluorocyclohexyl)-4-(morpholin-4-ylmethyl)pyridin-2-amine is sourced from PubChem (CID 163265444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).