5-chloro-6-[(3S)-4-[1-[(1R)-1-(4-chlorophenyl)ethyl]piperidin-4-yl]-3-methylpiperazin-1-yl]-N-methylpyridine-3-carboxamide

C25H33Cl2N5O — CID 59427488

IUPAC5-chloro-6-[(3S)-4-[1-[(1R)-1-(4-chlorophenyl)ethyl]piperidin-4-yl]-3-methylpiperazin-1-yl]-N-methylpyridine-3-carboxamide
SMILESCNC(=O)c1cnc(N2CCN(C3CCN([C@H](C)c4ccc(Cl)cc4)CC3)[C@@H](C)C2)c(Cl)c1
InChIInChI=1S/C25H33Cl2N5O/c1-17-16-31(24-23(27)14-20(15-29-24)25(33)28-3)12-13-32(17)22-8-10-30(11-9-22)18(2)19-4-6-21(26)7-5-19/h4-7,14-15,17-18,22H,8-13,16H2,1-3H3,(H,28,33)/t17-,18+/m0/s1
InChIKeyFJEIYFQAVBQPFG-ZWKOTPCHSA-N
MW490.48 g/mol
LogP4.48
Rot. Bonds5

About 5-chloro-6-[(3S)-4-[1-[(1R)-1-(4-chlorophenyl)ethyl]piperidin-4-yl]-3-methylpiperazin-1-yl]-N-methylpyridine-3-carboxamide

5-chloro-6-[(3S)-4-[1-[(1R)-1-(4-chlorophenyl)ethyl]piperidin-4-yl]-3-methylpiperazin-1-yl]-N-methylpyridine-3-carboxamide (PubChem CID 59427488) has the molecular formula C25H33Cl2N5O and a molecular weight of 490.48 g/mol. Its IUPAC name is 5-chloro-6-[(3S)-4-[1-[(1R)-1-(4-chlorophenyl)ethyl]piperidin-4-yl]-3-methylpiperazin-1-yl]-N-methylpyridine-3-carboxamide.

Molecular Properties

Compound Name5-chloro-6-[(3S)-4-[1-[(1R)-1-(4-chlorophenyl)ethyl]piperidin-4-yl]-3-methylpiperazin-1-yl]-N-methylpyridine-3-carboxamide
PubChem CID59427488
Molecular FormulaC25H33Cl2N5O
Molecular Weight490.48 g/mol
Exact Mass489.21
IUPAC Name5-chloro-6-[(3S)-4-[1-[(1R)-1-(4-chlorophenyl)ethyl]piperidin-4-yl]-3-methylpiperazin-1-yl]-N-methylpyridine-3-carboxamide
SMILESCNC(=O)c1cnc(N2CCN(C3CCN([C@H](C)c4ccc(Cl)cc4)CC3)[C@@H](C)C2)c(Cl)c1
InChIInChI=1S/C25H33Cl2N5O/c1-17-16-31(24-23(27)14-20(15-29-24)25(33)28-3)12-13-32(17)22-8-10-30(11-9-22)18(2)19-4-6-21(26)7-5-19/h4-7,14-15,17-18,22H,8-13,16H2,1-3H3,(H,28,33)/t17-,18+/m0/s1
InChIKeyFJEIYFQAVBQPFG-ZWKOTPCHSA-N
XLogP4.48
TPSA51.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.48
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-hydroxy-N-methyl-6-[3-methyl-4-[1-[1-(4-methylphenyl)ethyl]piperidin-4-yl]piperazin-1-yl]pyridine-3-carboxamide
CID 143279414
5-chloro-6-[(3S)-4-[1-(4-chlorobenzenecarboximidoyl)piperidin-4-yl]-3-methylpiperazin-1-yl]-N-methylpyridine-3-carboxamide;molecular hydrogen
CID 159683562
5-chloro-6-[(3S)-4-[1-[(1S)-1-(4-chlorophenyl)propyl]piperidin-4-yl]-3-methylpiperazin-1-yl]-N-ethylpyridine-3-carboxamide;molecular hydrogen
CID 158375694
5-chloro-6-[(3S)-4-[1-[(2-chlorophenyl)methyl]piperidin-4-yl]-3-methylpiperazin-1-yl]-N-methylpyridine-3-carboxamide
CID 59427517
5-chloro-6-[(3S)-4-[1-[(2,6-difluorophenyl)methyl]piperidin-4-yl]-3-methylpiperazin-1-yl]-N-methylpyridine-3-carboxamide;molecular hydrogen
CID 158222801
azetidin-1-yl-[5-chloro-6-[(3S)-4-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-3-methylpiperazin-1-yl]-3-pyridinyl]methanone
CID 53322511
5-chloro-6-[(3S)-4-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-3-methylpiperazin-1-yl]-N-(3,4-difluorophenyl)pyridine-3-carboxamide;molecular hydrogen
CID 159148188
5-chloro-6-[(3S)-4-[1-[(4-cyanophenyl)methyl]piperidin-4-yl]-3-methylpiperazin-1-yl]-N-[(3,4-difluorophenyl)methyl]pyridine-3-carboxamide
CID 59427740
5-chloro-6-[(3S)-4-[1-[2-(4-chlorophenoxy)ethyl]piperidin-4-yl]-3-methylpiperazin-1-yl]-N-[(3,4-difluorophenyl)methyl]pyridine-3-carboxamide;molecular hydrogen
CID 161381610
5-chloro-6-[(3S)-4-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-3-ethylpiperazin-1-yl]-N-propan-2-ylpyridine-3-carboxamide;molecular hydrogen
CID 161221227
5-chloro-6-[4-[1-[(4-chlorophenyl)methyl]-3-methylpiperidin-4-yl]piperazin-1-yl]-N-methylpyridine-3-carboxamide
CID 53319880
5-chloro-6-(3,4-dimethylpiperazin-1-yl)pyridine-3-carboxylic acid
CID 55216040

Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-[(3S)-4-[1-[(1R)-1-(4-chlorophenyl)ethyl]piperidin-4-yl]-3-methylpiperazin-1-yl]-N-methylpyridine-3-carboxamide?
The IUPAC name of 5-chloro-6-[(3S)-4-[1-[(1R)-1-(4-chlorophenyl)ethyl]piperidin-4-yl]-3-methylpiperazin-1-yl]-N-methylpyridine-3-carboxamide (CID 59427488) is 5-chloro-6-[(3S)-4-[1-[(1R)-1-(4-chlorophenyl)ethyl]piperidin-4-yl]-3-methylpiperazin-1-yl]-N-methylpyridine-3-carboxamide.
What is the SMILES notation for 5-chloro-6-[(3S)-4-[1-[(1R)-1-(4-chlorophenyl)ethyl]piperidin-4-yl]-3-methylpiperazin-1-yl]-N-methylpyridine-3-carboxamide?
The canonical SMILES for 5-chloro-6-[(3S)-4-[1-[(1R)-1-(4-chlorophenyl)ethyl]piperidin-4-yl]-3-methylpiperazin-1-yl]-N-methylpyridine-3-carboxamide is CNC(=O)c1cnc(N2CCN(C3CCN([C@H](C)c4ccc(Cl)cc4)CC3)[C@@H](C)C2)c(Cl)c1.
What is the InChIKey of 5-chloro-6-[(3S)-4-[1-[(1R)-1-(4-chlorophenyl)ethyl]piperidin-4-yl]-3-methylpiperazin-1-yl]-N-methylpyridine-3-carboxamide?
The InChIKey is FJEIYFQAVBQPFG-ZWKOTPCHSA-N. The full InChI is InChI=1S/C25H33Cl2N5O/c1-17-16-31(24-23(27)14-20(15-29-24)25(33)28-3)12-13-32(17)22-8-10-30(11-9-22)18(2)19-4-6-21(26)7-5-19/h4-7,14-15,17-18,22H,8-13,16H2,1-3H3,(H,28,33)/t17-,18+/m0/s1.
What are the key properties of 5-chloro-6-[(3S)-4-[1-[(1R)-1-(4-chlorophenyl)ethyl]piperidin-4-yl]-3-methylpiperazin-1-yl]-N-methylpyridine-3-carboxamide?
5-chloro-6-[(3S)-4-[1-[(1R)-1-(4-chlorophenyl)ethyl]piperidin-4-yl]-3-methylpiperazin-1-yl]-N-methylpyridine-3-carboxamide has a molecular weight of 490.48 g/mol, XLogP of 4.48, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6-[(3S)-4-[1-[(1R)-1-(4-chlorophenyl)ethyl]piperidin-4-yl]-3-methylpiperazin-1-yl]-N-methylpyridine-3-carboxamide is sourced from PubChem (CID 59427488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).