2-chloro-6-[4-[1-(2,6-difluorobenzoyl)piperidin-4-yl]piperidin-1-yl]-N,N-dimethylpyridine-3-carboxamide

C25H29ClF2N4O2 — CID 129146147

IUPAC2-chloro-6-[4-[1-(2,6-difluorobenzoyl)piperidin-4-yl]piperidin-1-yl]-N,N-dimethylpyridine-3-carboxamide
SMILESCN(C)C(=O)c1ccc(N2CCC(C3CCN(C(=O)c4c(F)cccc4F)CC3)CC2)nc1Cl
InChIInChI=1S/C25H29ClF2N4O2/c1-30(2)24(33)18-6-7-21(29-23(18)26)31-12-8-16(9-13-31)17-10-14-32(15-11-17)25(34)22-19(27)4-3-5-20(22)28/h3-7,16-17H,8-15H2,1-2H3
InChIKeyLHZKHGMZAWPKKK-UHFFFAOYSA-N
MW490.98 g/mol
LogP4.48
Rot. Bonds4

About 2-chloro-6-[4-[1-(2,6-difluorobenzoyl)piperidin-4-yl]piperidin-1-yl]-N,N-dimethylpyridine-3-carboxamide

2-chloro-6-[4-[1-(2,6-difluorobenzoyl)piperidin-4-yl]piperidin-1-yl]-N,N-dimethylpyridine-3-carboxamide (PubChem CID 129146147) has the molecular formula C25H29ClF2N4O2 and a molecular weight of 490.98 g/mol. Its IUPAC name is 2-chloro-6-[4-[1-(2,6-difluorobenzoyl)piperidin-4-yl]piperidin-1-yl]-N,N-dimethylpyridine-3-carboxamide.

Molecular Properties

Compound Name2-chloro-6-[4-[1-(2,6-difluorobenzoyl)piperidin-4-yl]piperidin-1-yl]-N,N-dimethylpyridine-3-carboxamide
PubChem CID129146147
Molecular FormulaC25H29ClF2N4O2
Molecular Weight490.98 g/mol
Exact Mass490.19
IUPAC Name2-chloro-6-[4-[1-(2,6-difluorobenzoyl)piperidin-4-yl]piperidin-1-yl]-N,N-dimethylpyridine-3-carboxamide
SMILESCN(C)C(=O)c1ccc(N2CCC(C3CCN(C(=O)c4c(F)cccc4F)CC3)CC2)nc1Cl
InChIInChI=1S/C25H29ClF2N4O2/c1-30(2)24(33)18-6-7-21(29-23(18)26)31-12-8-16(9-13-31)17-10-14-32(15-11-17)25(34)22-19(27)4-3-5-20(22)28/h3-7,16-17H,8-15H2,1-2H3
InChIKeyLHZKHGMZAWPKKK-UHFFFAOYSA-N
XLogP4.48
TPSA56.75 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.98
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 2-chloro-6-[4-[1-(2,6-difluorobenzoyl)piperidin-4-yl]piperidin-1-yl]-N,N-dimethylpyridine-3-carboxamide with MolForge

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Related Compounds

(3-Chloro-4-fluorophenyl)(4-fluoro-4-((((5-methyl-6-(methylamino)pyridin-2-yl)methyl)amino)methyl)piperidin-1-yl)methanone
CID 9802369
(3-Chloro-4-fluorophenyl)-[4-[[[6-(dimethylamino)-5-methyl-2-pyridinyl]methylamino]methyl]-4-fluoropiperidin-1-yl]methanone
CID 10694239
(3-Chloro-4-fluorophenyl)-[4-[[[6-(dimethylamino)-2-pyridinyl]methylamino]methyl]-4-fluoropiperidin-1-yl]methanone
CID 10740939
(3-Chloro-4-fluorophenyl)-[4-[[[6-(ethylamino)-2-pyridinyl]methylamino]methyl]-4-fluoropiperidin-1-yl]methanone
CID 10812183
(3-Chloro-4-fluorophenyl)-[4-fluoro-4-[[[6-(methylamino)-2-pyridinyl]methylamino]methyl]piperidin-1-yl]methanone
CID 11795765
(3-Chloro-4-fluorophenyl)-[4-[[[6-(ethylamino)-5-methyl-2-pyridinyl]methylamino]methyl]-4-fluoropiperidin-1-yl]methanone
CID 10550911
(3-Chloro-4-fluorophenyl)-[4-[[[6-(dimethylamino)-3-methyl-2-pyridinyl]methylamino]methyl]-4-fluoropiperidin-1-yl]methanone
CID 44290346
7-Amino-6-(aminomethyl)-5-(2-chloro-5-fluorophenyl)-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione
CID 11516085
4-chloro-2-fluoro-N-[6-[fluoro-(1-methylpiperidin-4-ylidene)methyl]-2-pyridinyl]benzamide
CID 146420204
(3-Chloro-4-fluorophenyl)-[4-[[[6-(diethylamino)-5-methyl-2-pyridinyl]methylamino]methyl]-4-fluoropiperidin-1-yl]methanone
CID 10695466
7-chloro-N-cyclohexyl-1-[(2-fluorophenyl)methyl]-4-oxo-1,8-naphthyridine-3-carboxamide
CID 16086901
7-chloro-N-cyclohexyl-1-[(4-fluorophenyl)methyl]-4-oxo-1,8-naphthyridine-3-carboxamide
CID 16086907

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-[4-[1-(2,6-difluorobenzoyl)piperidin-4-yl]piperidin-1-yl]-N,N-dimethylpyridine-3-carboxamide?
The IUPAC name of 2-chloro-6-[4-[1-(2,6-difluorobenzoyl)piperidin-4-yl]piperidin-1-yl]-N,N-dimethylpyridine-3-carboxamide (CID 129146147) is 2-chloro-6-[4-[1-(2,6-difluorobenzoyl)piperidin-4-yl]piperidin-1-yl]-N,N-dimethylpyridine-3-carboxamide.
What is the SMILES notation for 2-chloro-6-[4-[1-(2,6-difluorobenzoyl)piperidin-4-yl]piperidin-1-yl]-N,N-dimethylpyridine-3-carboxamide?
The canonical SMILES for 2-chloro-6-[4-[1-(2,6-difluorobenzoyl)piperidin-4-yl]piperidin-1-yl]-N,N-dimethylpyridine-3-carboxamide is CN(C)C(=O)c1ccc(N2CCC(C3CCN(C(=O)c4c(F)cccc4F)CC3)CC2)nc1Cl.
What is the InChIKey of 2-chloro-6-[4-[1-(2,6-difluorobenzoyl)piperidin-4-yl]piperidin-1-yl]-N,N-dimethylpyridine-3-carboxamide?
The InChIKey is LHZKHGMZAWPKKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29ClF2N4O2/c1-30(2)24(33)18-6-7-21(29-23(18)26)31-12-8-16(9-13-31)17-10-14-32(15-11-17)25(34)22-19(27)4-3-5-20(22)28/h3-7,16-17H,8-15H2,1-2H3.
What are the key properties of 2-chloro-6-[4-[1-(2,6-difluorobenzoyl)piperidin-4-yl]piperidin-1-yl]-N,N-dimethylpyridine-3-carboxamide?
2-chloro-6-[4-[1-(2,6-difluorobenzoyl)piperidin-4-yl]piperidin-1-yl]-N,N-dimethylpyridine-3-carboxamide has a molecular weight of 490.98 g/mol, XLogP of 4.48, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-[4-[1-(2,6-difluorobenzoyl)piperidin-4-yl]piperidin-1-yl]-N,N-dimethylpyridine-3-carboxamide is sourced from PubChem (CID 129146147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).