3-chloro-5-[6-[4-[(4,4-difluoropiperidin-1-yl)methyl]phenyl]-3-pyridinyl]-2,6-dimethylpyridine

C24H24ClF2N3 — CID 91579681

IUPAC3-chloro-5-[6-[4-[(4,4-difluoropiperidin-1-yl)methyl]phenyl]-3-pyridinyl]-2,6-dimethylpyridine
SMILESCc1nc(C)c(-c2ccc(-c3ccc(CN4CCC(F)(F)CC4)cc3)nc2)cc1Cl
InChIInChI=1S/C24H24ClF2N3/c1-16-21(13-22(25)17(2)29-16)20-7-8-23(28-14-20)19-5-3-18(4-6-19)15-30-11-9-24(26,27)10-12-30/h3-8,13-14H,9-12,15H2,1-2H3
InChIKeyDWAYTVYADIMKDO-UHFFFAOYSA-N
MW427.93 g/mol
LogP6.31
Rot. Bonds4

About 3-chloro-5-[6-[4-[(4,4-difluoropiperidin-1-yl)methyl]phenyl]-3-pyridinyl]-2,6-dimethylpyridine

3-chloro-5-[6-[4-[(4,4-difluoropiperidin-1-yl)methyl]phenyl]-3-pyridinyl]-2,6-dimethylpyridine (PubChem CID 91579681) has the molecular formula C24H24ClF2N3 and a molecular weight of 427.93 g/mol. Its IUPAC name is 3-chloro-5-[6-[4-[(4,4-difluoropiperidin-1-yl)methyl]phenyl]-3-pyridinyl]-2,6-dimethylpyridine.

Molecular Properties

Compound Name3-chloro-5-[6-[4-[(4,4-difluoropiperidin-1-yl)methyl]phenyl]-3-pyridinyl]-2,6-dimethylpyridine
PubChem CID91579681
Molecular FormulaC24H24ClF2N3
Molecular Weight427.93 g/mol
Exact Mass427.16
IUPAC Name3-chloro-5-[6-[4-[(4,4-difluoropiperidin-1-yl)methyl]phenyl]-3-pyridinyl]-2,6-dimethylpyridine
SMILESCc1nc(C)c(-c2ccc(-c3ccc(CN4CCC(F)(F)CC4)cc3)nc2)cc1Cl
InChIInChI=1S/C24H24ClF2N3/c1-16-21(13-22(25)17(2)29-16)20-7-8-23(28-14-20)19-5-3-18(4-6-19)15-30-11-9-24(26,27)10-12-30/h3-8,13-14H,9-12,15H2,1-2H3
InChIKeyDWAYTVYADIMKDO-UHFFFAOYSA-N
XLogP6.31
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500427.93
LogP ≤ 56.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3-chloro-5-[6-[4-[(4,4-difluoropiperidin-1-yl)methyl]phenyl]-3-pyridinyl]-2,6-dimethylpyridine with MolForge

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Related Compounds

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(-)-Chlorpheniramine
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Anabasamine hydrochloride
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4-[2-(4-Chloro-phenyl)-5-(1-methyl-piperidin-4-yl)-1H-pyrrol-3-yl]-pyridine
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13-Chloro-2-(1-propan-2-ylpiperidin-4-ylidene)-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene
CID 68168663
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2-(4-Chlorophenyl)-2-(5-(trifluoromethyl)pyridin-2-yl)acetonitrile (20)
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4-[2-(3-Chloro-4-fluoro-phenyl)-5-(1-methyl-piperidin-4-yl)-1H-pyrrol-3-yl]-pyridine
CID 44399361
5-(4-Chlorophenyl)-2-[2-[4-(3-pyrrolidin-1-ylpropyl)phenyl]ethynyl]pyridine
CID 9978378

Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-[6-[4-[(4,4-difluoropiperidin-1-yl)methyl]phenyl]-3-pyridinyl]-2,6-dimethylpyridine?
The IUPAC name of 3-chloro-5-[6-[4-[(4,4-difluoropiperidin-1-yl)methyl]phenyl]-3-pyridinyl]-2,6-dimethylpyridine (CID 91579681) is 3-chloro-5-[6-[4-[(4,4-difluoropiperidin-1-yl)methyl]phenyl]-3-pyridinyl]-2,6-dimethylpyridine.
What is the SMILES notation for 3-chloro-5-[6-[4-[(4,4-difluoropiperidin-1-yl)methyl]phenyl]-3-pyridinyl]-2,6-dimethylpyridine?
The canonical SMILES for 3-chloro-5-[6-[4-[(4,4-difluoropiperidin-1-yl)methyl]phenyl]-3-pyridinyl]-2,6-dimethylpyridine is Cc1nc(C)c(-c2ccc(-c3ccc(CN4CCC(F)(F)CC4)cc3)nc2)cc1Cl.
What is the InChIKey of 3-chloro-5-[6-[4-[(4,4-difluoropiperidin-1-yl)methyl]phenyl]-3-pyridinyl]-2,6-dimethylpyridine?
The InChIKey is DWAYTVYADIMKDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24ClF2N3/c1-16-21(13-22(25)17(2)29-16)20-7-8-23(28-14-20)19-5-3-18(4-6-19)15-30-11-9-24(26,27)10-12-30/h3-8,13-14H,9-12,15H2,1-2H3.
What are the key properties of 3-chloro-5-[6-[4-[(4,4-difluoropiperidin-1-yl)methyl]phenyl]-3-pyridinyl]-2,6-dimethylpyridine?
3-chloro-5-[6-[4-[(4,4-difluoropiperidin-1-yl)methyl]phenyl]-3-pyridinyl]-2,6-dimethylpyridine has a molecular weight of 427.93 g/mol, XLogP of 6.31, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-[6-[4-[(4,4-difluoropiperidin-1-yl)methyl]phenyl]-3-pyridinyl]-2,6-dimethylpyridine is sourced from PubChem (CID 91579681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).