5-[2-[(4-aminocyclohexyl)methyl]-5-chloro-4-pyridinyl]-N-[(4-fluorophenyl)methyl]pyridin-3-amine

C24H26ClFN4 — CID 159861727

IUPAC5-[2-[(4-aminocyclohexyl)methyl]-5-chloro-4-pyridinyl]-N-[(4-fluorophenyl)methyl]pyridin-3-amine
SMILESNC1CCC(Cc2cc(-c3cncc(NCc4ccc(F)cc4)c3)c(Cl)cn2)CC1
InChIInChI=1S/C24H26ClFN4/c25-24-15-30-21(9-16-3-7-20(27)8-4-16)11-23(24)18-10-22(14-28-13-18)29-12-17-1-5-19(26)6-2-17/h1-2,5-6,10-11,13-16,20,29H,3-4,7-9,12,27H2
InChIKeyNRFPUWBXJOGPKK-UHFFFAOYSA-N
MW424.95 g/mol
LogP5.61
Rot. Bonds6

About 5-[2-[(4-aminocyclohexyl)methyl]-5-chloro-4-pyridinyl]-N-[(4-fluorophenyl)methyl]pyridin-3-amine

5-[2-[(4-aminocyclohexyl)methyl]-5-chloro-4-pyridinyl]-N-[(4-fluorophenyl)methyl]pyridin-3-amine (PubChem CID 159861727) has the molecular formula C24H26ClFN4 and a molecular weight of 424.95 g/mol. Its IUPAC name is 5-[2-[(4-aminocyclohexyl)methyl]-5-chloro-4-pyridinyl]-N-[(4-fluorophenyl)methyl]pyridin-3-amine.

Molecular Properties

Compound Name5-[2-[(4-aminocyclohexyl)methyl]-5-chloro-4-pyridinyl]-N-[(4-fluorophenyl)methyl]pyridin-3-amine
PubChem CID159861727
Molecular FormulaC24H26ClFN4
Molecular Weight424.95 g/mol
Exact Mass424.18
IUPAC Name5-[2-[(4-aminocyclohexyl)methyl]-5-chloro-4-pyridinyl]-N-[(4-fluorophenyl)methyl]pyridin-3-amine
SMILESNC1CCC(Cc2cc(-c3cncc(NCc4ccc(F)cc4)c3)c(Cl)cn2)CC1
InChIInChI=1S/C24H26ClFN4/c25-24-15-30-21(9-16-3-7-20(27)8-4-16)11-23(24)18-10-22(14-28-13-18)29-12-17-1-5-19(26)6-2-17/h1-2,5-6,10-11,13-16,20,29H,3-4,7-9,12,27H2
InChIKeyNRFPUWBXJOGPKK-UHFFFAOYSA-N
XLogP5.61
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.95
LogP ≤ 55.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 5-[2-[(4-aminocyclohexyl)methyl]-5-chloro-4-pyridinyl]-N-[(4-fluorophenyl)methyl]pyridin-3-amine with MolForge

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 5-[2-[(4-aminocyclohexyl)methyl]-5-chloro-4-pyridinyl]-N-[(4-fluorophenyl)methyl]pyridin-3-amine?
The IUPAC name of 5-[2-[(4-aminocyclohexyl)methyl]-5-chloro-4-pyridinyl]-N-[(4-fluorophenyl)methyl]pyridin-3-amine (CID 159861727) is 5-[2-[(4-aminocyclohexyl)methyl]-5-chloro-4-pyridinyl]-N-[(4-fluorophenyl)methyl]pyridin-3-amine.
What is the SMILES notation for 5-[2-[(4-aminocyclohexyl)methyl]-5-chloro-4-pyridinyl]-N-[(4-fluorophenyl)methyl]pyridin-3-amine?
The canonical SMILES for 5-[2-[(4-aminocyclohexyl)methyl]-5-chloro-4-pyridinyl]-N-[(4-fluorophenyl)methyl]pyridin-3-amine is NC1CCC(Cc2cc(-c3cncc(NCc4ccc(F)cc4)c3)c(Cl)cn2)CC1.
What is the InChIKey of 5-[2-[(4-aminocyclohexyl)methyl]-5-chloro-4-pyridinyl]-N-[(4-fluorophenyl)methyl]pyridin-3-amine?
The InChIKey is NRFPUWBXJOGPKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26ClFN4/c25-24-15-30-21(9-16-3-7-20(27)8-4-16)11-23(24)18-10-22(14-28-13-18)29-12-17-1-5-19(26)6-2-17/h1-2,5-6,10-11,13-16,20,29H,3-4,7-9,12,27H2.
What are the key properties of 5-[2-[(4-aminocyclohexyl)methyl]-5-chloro-4-pyridinyl]-N-[(4-fluorophenyl)methyl]pyridin-3-amine?
5-[2-[(4-aminocyclohexyl)methyl]-5-chloro-4-pyridinyl]-N-[(4-fluorophenyl)methyl]pyridin-3-amine has a molecular weight of 424.95 g/mol, XLogP of 5.61, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[(4-aminocyclohexyl)methyl]-5-chloro-4-pyridinyl]-N-[(4-fluorophenyl)methyl]pyridin-3-amine is sourced from PubChem (CID 159861727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).