6-[5-chloro-2-[(1-methylpiperidin-4-yl)methyl]-4-pyridinyl]-N-[(3-fluorophenyl)methyl]pyridin-2-amine

C24H26ClFN4 — CID 58127379

IUPAC6-[5-chloro-2-[(1-methylpiperidin-4-yl)methyl]-4-pyridinyl]-N-[(3-fluorophenyl)methyl]pyridin-2-amine
SMILESCN1CCC(Cc2cc(-c3cccc(NCc4cccc(F)c4)n3)c(Cl)cn2)CC1
InChIInChI=1S/C24H26ClFN4/c1-30-10-8-17(9-11-30)13-20-14-21(22(25)16-27-20)23-6-3-7-24(29-23)28-15-18-4-2-5-19(26)12-18/h2-7,12,14,16-17H,8-11,13,15H2,1H3,(H,28,29)
InChIKeySSDORBDSTINKKZ-UHFFFAOYSA-N
MW424.95 g/mol
LogP5.43
Rot. Bonds6

About 6-[5-chloro-2-[(1-methylpiperidin-4-yl)methyl]-4-pyridinyl]-N-[(3-fluorophenyl)methyl]pyridin-2-amine

6-[5-chloro-2-[(1-methylpiperidin-4-yl)methyl]-4-pyridinyl]-N-[(3-fluorophenyl)methyl]pyridin-2-amine (PubChem CID 58127379) has the molecular formula C24H26ClFN4 and a molecular weight of 424.95 g/mol. Its IUPAC name is 6-[5-chloro-2-[(1-methylpiperidin-4-yl)methyl]-4-pyridinyl]-N-[(3-fluorophenyl)methyl]pyridin-2-amine.

Molecular Properties

Compound Name6-[5-chloro-2-[(1-methylpiperidin-4-yl)methyl]-4-pyridinyl]-N-[(3-fluorophenyl)methyl]pyridin-2-amine
PubChem CID58127379
Molecular FormulaC24H26ClFN4
Molecular Weight424.95 g/mol
Exact Mass424.18
IUPAC Name6-[5-chloro-2-[(1-methylpiperidin-4-yl)methyl]-4-pyridinyl]-N-[(3-fluorophenyl)methyl]pyridin-2-amine
SMILESCN1CCC(Cc2cc(-c3cccc(NCc4cccc(F)c4)n3)c(Cl)cn2)CC1
InChIInChI=1S/C24H26ClFN4/c1-30-10-8-17(9-11-30)13-20-14-21(22(25)16-27-20)23-6-3-7-24(29-23)28-15-18-4-2-5-19(26)12-18/h2-7,12,14,16-17H,8-11,13,15H2,1H3,(H,28,29)
InChIKeySSDORBDSTINKKZ-UHFFFAOYSA-N
XLogP5.43
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.95
LogP ≤ 55.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 6-[5-chloro-2-[(1-methylpiperidin-4-yl)methyl]-4-pyridinyl]-N-[(3-fluorophenyl)methyl]pyridin-2-amine with MolForge

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Related Compounds

6-[5-chloro-2-[(1-ethylsulfonylpiperidin-4-yl)methyl]-4-pyridinyl]-N-[(3-fluorophenyl)methyl]pyridin-2-amine
CID 58127051
6-[5-chloro-2-[[4-(methoxymethyl)cyclohexyl]methyl]-4-pyridinyl]-N-[(3-fluorophenyl)methyl]pyridin-2-amine
CID 58127331
6-[2-[[(1R,3R)-3-aminocyclopentyl]methyl]-5-chloro-4-pyridinyl]-N-[(3-fluorophenyl)methyl]pyridin-2-amine
CID 58127344
6-[2-[[(3S,4S)-4-amino-3-methylcyclohexyl]methyl]-5-chloro-4-pyridinyl]-N-[(3-fluorophenyl)methyl]pyridin-2-amine
CID 58127144
[(1S,3R)-3-[[5-chloro-4-[6-[(3-fluorophenyl)methylamino]-2-pyridinyl]-2-pyridinyl]methyl]cyclopentyl]-pyrrolidin-1-ylmethanone
CID 58127329
6-[2-[(4-aminocyclohexyl)methyl]-5-chloro-4-pyridinyl]-N-[(3-methylphenyl)methyl]pyridin-2-amine
CID 58127337
6-[2-[(4-aminocyclohexyl)methyl]-5-chloro-4-pyridinyl]-3-fluoro-N-[(3-fluorophenyl)methyl]pyridin-2-amine;methane
CID 162043335
2-[2-[(4-aminocyclohexyl)methyl]-5-chloro-4-pyridinyl]-6-[(3-fluorophenyl)methylamino]pyridine-4-carboxamide
CID 58127396
4-[[5-chloro-4-[6-(pyridin-3-ylmethylamino)-2-pyridinyl]-2-pyridinyl]methyl]cyclohexan-1-ol
CID 58127174
5-chloro-4-[6-[(3-fluorophenyl)methylamino]-2-pyridinyl]-N-(oxan-4-yl)pyridin-2-amine
CID 70794022
5-chloro-N-cyclohex-3-en-1-yl-4-[6-[(3-fluorophenyl)methylamino]-2-pyridinyl]pyridin-2-amine
CID 66937052
4-N-[5-chloro-4-[6-[(3-fluorophenyl)methylamino]-2-pyridinyl]-2-pyridinyl]-2-methylcyclohexane-1,4-diamine
CID 77460758

Frequently Asked Questions

What is the IUPAC name of 6-[5-chloro-2-[(1-methylpiperidin-4-yl)methyl]-4-pyridinyl]-N-[(3-fluorophenyl)methyl]pyridin-2-amine?
The IUPAC name of 6-[5-chloro-2-[(1-methylpiperidin-4-yl)methyl]-4-pyridinyl]-N-[(3-fluorophenyl)methyl]pyridin-2-amine (CID 58127379) is 6-[5-chloro-2-[(1-methylpiperidin-4-yl)methyl]-4-pyridinyl]-N-[(3-fluorophenyl)methyl]pyridin-2-amine.
What is the SMILES notation for 6-[5-chloro-2-[(1-methylpiperidin-4-yl)methyl]-4-pyridinyl]-N-[(3-fluorophenyl)methyl]pyridin-2-amine?
The canonical SMILES for 6-[5-chloro-2-[(1-methylpiperidin-4-yl)methyl]-4-pyridinyl]-N-[(3-fluorophenyl)methyl]pyridin-2-amine is CN1CCC(Cc2cc(-c3cccc(NCc4cccc(F)c4)n3)c(Cl)cn2)CC1.
What is the InChIKey of 6-[5-chloro-2-[(1-methylpiperidin-4-yl)methyl]-4-pyridinyl]-N-[(3-fluorophenyl)methyl]pyridin-2-amine?
The InChIKey is SSDORBDSTINKKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26ClFN4/c1-30-10-8-17(9-11-30)13-20-14-21(22(25)16-27-20)23-6-3-7-24(29-23)28-15-18-4-2-5-19(26)12-18/h2-7,12,14,16-17H,8-11,13,15H2,1H3,(H,28,29).
What are the key properties of 6-[5-chloro-2-[(1-methylpiperidin-4-yl)methyl]-4-pyridinyl]-N-[(3-fluorophenyl)methyl]pyridin-2-amine?
6-[5-chloro-2-[(1-methylpiperidin-4-yl)methyl]-4-pyridinyl]-N-[(3-fluorophenyl)methyl]pyridin-2-amine has a molecular weight of 424.95 g/mol, XLogP of 5.43, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[5-chloro-2-[(1-methylpiperidin-4-yl)methyl]-4-pyridinyl]-N-[(3-fluorophenyl)methyl]pyridin-2-amine is sourced from PubChem (CID 58127379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).