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

C24H25ClF2N4 — CID 152904030

IUPAC5-[2-[(4-aminocyclohexyl)methyl]-5-chloro-4-pyridinyl]-N-[(3,4-difluorophenyl)methyl]pyridin-3-amine
SMILESNC1CCC(Cc2cc(-c3cncc(NCc4ccc(F)c(F)c4)c3)c(Cl)cn2)CC1
InChIInChI=1S/C24H25ClF2N4/c25-22-14-31-19(7-15-1-4-18(28)5-2-15)10-21(22)17-9-20(13-29-12-17)30-11-16-3-6-23(26)24(27)8-16/h3,6,8-10,12-15,18,30H,1-2,4-5,7,11,28H2
InChIKeyUFWPTYPEEFZTNE-UHFFFAOYSA-N
MW442.94 g/mol
LogP5.75
Rot. Bonds6

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

5-[2-[(4-aminocyclohexyl)methyl]-5-chloro-4-pyridinyl]-N-[(3,4-difluorophenyl)methyl]pyridin-3-amine (PubChem CID 152904030) has the molecular formula C24H25ClF2N4 and a molecular weight of 442.94 g/mol. Its IUPAC name is 5-[2-[(4-aminocyclohexyl)methyl]-5-chloro-4-pyridinyl]-N-[(3,4-difluorophenyl)methyl]pyridin-3-amine.

Molecular Properties

Compound Name5-[2-[(4-aminocyclohexyl)methyl]-5-chloro-4-pyridinyl]-N-[(3,4-difluorophenyl)methyl]pyridin-3-amine
PubChem CID152904030
Molecular FormulaC24H25ClF2N4
Molecular Weight442.94 g/mol
Exact Mass442.17
IUPAC Name5-[2-[(4-aminocyclohexyl)methyl]-5-chloro-4-pyridinyl]-N-[(3,4-difluorophenyl)methyl]pyridin-3-amine
SMILESNC1CCC(Cc2cc(-c3cncc(NCc4ccc(F)c(F)c4)c3)c(Cl)cn2)CC1
InChIInChI=1S/C24H25ClF2N4/c25-22-14-31-19(7-15-1-4-18(28)5-2-15)10-21(22)17-9-20(13-29-12-17)30-11-16-3-6-23(26)24(27)8-16/h3,6,8-10,12-15,18,30H,1-2,4-5,7,11,28H2
InChIKeyUFWPTYPEEFZTNE-UHFFFAOYSA-N
XLogP5.75
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500442.94
LogP ≤ 55.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

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Related Compounds

8-(2,6-Dichlorophenyl)-4-(2,4-Difluorophenyl)-2-Piperidin-4-Yl-1,7-Naphthyridine 7-Oxide
CID 24899987
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CID 24897658
N-[(3-Chloropyridin-2-yl)methyl]-N-(5,6,7,8-tetrahydroquinolin-8-yl)butane-1,4-diamine
CID 25177627
Cdk9-IN-2
CID 49855228
N-[(2S)-2-amino-3-(2,3-dihydro-1H-indol-3-yl)propyl]-6-chloro-5-[(E)-2-(pyridin-4-yl)ethenyl]pyridin-3-amine
CID 23646975
4-[2-(3-Chloro-4-fluoro-phenyl)-5-(1-methyl-piperidin-4-yl)-1H-pyrrol-3-yl]-pyridine
CID 44399361
(1R,2R,4R)-2-[5-(6-chloro-3-pyridinyl)-6-fluoro-3-pyridinyl]-7-azabicyclo[2.2.1]heptane
CID 76322028
3-[5-(4-Chlorophenyl)-3-pyridinyl]-3,6-diazabicyclo[3.1.1]heptane
CID 122193499
8-(2,6-Dichlorophenyl)-4-(2,4-difluorophenyl)-7-hydroxy-2-piperidin-1-ium-4-yl-1,7-naphthyridin-7-ium
CID 136246396
8-chloro-11-(1-piperazinyl)-6,11-dihydro-5H-benzo[5,6]cyclohepta[1,2-b]pyridine
CID 5255691
{4-[5-(4-Chloro-phenyl)-pyridin-2-ylethynyl]-phenyl}-(2-pyrrolidin-1-yl-ethyl)-amine
CID 9978428
1-[(1S)-1-(5-chloropyridin-2-yl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]-2-phenylethyl]-3-cyclohexylurea
CID 16739945

Frequently Asked Questions

What is the IUPAC name of 5-[2-[(4-aminocyclohexyl)methyl]-5-chloro-4-pyridinyl]-N-[(3,4-difluorophenyl)methyl]pyridin-3-amine?
The IUPAC name of 5-[2-[(4-aminocyclohexyl)methyl]-5-chloro-4-pyridinyl]-N-[(3,4-difluorophenyl)methyl]pyridin-3-amine (CID 152904030) is 5-[2-[(4-aminocyclohexyl)methyl]-5-chloro-4-pyridinyl]-N-[(3,4-difluorophenyl)methyl]pyridin-3-amine.
What is the SMILES notation for 5-[2-[(4-aminocyclohexyl)methyl]-5-chloro-4-pyridinyl]-N-[(3,4-difluorophenyl)methyl]pyridin-3-amine?
The canonical SMILES for 5-[2-[(4-aminocyclohexyl)methyl]-5-chloro-4-pyridinyl]-N-[(3,4-difluorophenyl)methyl]pyridin-3-amine is NC1CCC(Cc2cc(-c3cncc(NCc4ccc(F)c(F)c4)c3)c(Cl)cn2)CC1.
What is the InChIKey of 5-[2-[(4-aminocyclohexyl)methyl]-5-chloro-4-pyridinyl]-N-[(3,4-difluorophenyl)methyl]pyridin-3-amine?
The InChIKey is UFWPTYPEEFZTNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25ClF2N4/c25-22-14-31-19(7-15-1-4-18(28)5-2-15)10-21(22)17-9-20(13-29-12-17)30-11-16-3-6-23(26)24(27)8-16/h3,6,8-10,12-15,18,30H,1-2,4-5,7,11,28H2.
What are the key properties of 5-[2-[(4-aminocyclohexyl)methyl]-5-chloro-4-pyridinyl]-N-[(3,4-difluorophenyl)methyl]pyridin-3-amine?
5-[2-[(4-aminocyclohexyl)methyl]-5-chloro-4-pyridinyl]-N-[(3,4-difluorophenyl)methyl]pyridin-3-amine has a molecular weight of 442.94 g/mol, XLogP of 5.75, 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-[(3,4-difluorophenyl)methyl]pyridin-3-amine is sourced from PubChem (CID 152904030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).