5-chloro-6-[(3S)-4-[1-(4-chlorobenzenecarboximidoyl)piperidin-4-yl]-3-methylpiperazin-1-yl]-N-methylpyridine-3-carboxamide;molecular hydrogen

C24H32Cl2N6O — CID 159683562

IUPAC5-chloro-6-[(3S)-4-[1-(4-chlorobenzenecarboximidoyl)piperidin-4-yl]-3-methylpiperazin-1-yl]-N-methylpyridine-3-carboxamide;molecular hydrogen
SMILES[H]/N=C(\c1ccc(Cl)cc1)N1CCC(N2CCN(c3ncc(C(=O)NC)cc3Cl)C[C@@H]2C)CC1.[H][H]
InChIInChI=1S/C24H30Cl2N6O.H2/c1-16-15-31(23-21(26)13-18(14-29-23)24(33)28-2)11-12-32(16)20-7-9-30(10-8-20)22(27)17-3-5-19(25)6-4-17;/h3-6,13-14,16,20,27H,7-12,15H2,1-2H3,(H,28,33);1H/b27-22+;/t16-;/m0./s1
InChIKeyMVMSLTFDMHMEKO-TWDATDSKSA-N
MW491.47 g/mol
LogP3.99
Rot. Bonds4

About 5-chloro-6-[(3S)-4-[1-(4-chlorobenzenecarboximidoyl)piperidin-4-yl]-3-methylpiperazin-1-yl]-N-methylpyridine-3-carboxamide;molecular hydrogen

5-chloro-6-[(3S)-4-[1-(4-chlorobenzenecarboximidoyl)piperidin-4-yl]-3-methylpiperazin-1-yl]-N-methylpyridine-3-carboxamide;molecular hydrogen (PubChem CID 159683562) has the molecular formula C24H32Cl2N6O and a molecular weight of 491.47 g/mol. Its IUPAC name is 5-chloro-6-[(3S)-4-[1-(4-chlorobenzenecarboximidoyl)piperidin-4-yl]-3-methylpiperazin-1-yl]-N-methylpyridine-3-carboxamide;molecular hydrogen.

Molecular Properties

Compound Name5-chloro-6-[(3S)-4-[1-(4-chlorobenzenecarboximidoyl)piperidin-4-yl]-3-methylpiperazin-1-yl]-N-methylpyridine-3-carboxamide;molecular hydrogen
PubChem CID159683562
Molecular FormulaC24H32Cl2N6O
Molecular Weight491.47 g/mol
Exact Mass490.20
IUPAC Name5-chloro-6-[(3S)-4-[1-(4-chlorobenzenecarboximidoyl)piperidin-4-yl]-3-methylpiperazin-1-yl]-N-methylpyridine-3-carboxamide;molecular hydrogen
SMILES[H]/N=C(\c1ccc(Cl)cc1)N1CCC(N2CCN(c3ncc(C(=O)NC)cc3Cl)C[C@@H]2C)CC1.[H][H]
InChIInChI=1S/C24H30Cl2N6O.H2/c1-16-15-31(23-21(26)13-18(14-29-23)24(33)28-2)11-12-32(16)20-7-9-30(10-8-20)22(27)17-3-5-19(25)6-4-17;/h3-6,13-14,16,20,27H,7-12,15H2,1-2H3,(H,28,33);1H/b27-22+;/t16-;/m0./s1
InChIKeyMVMSLTFDMHMEKO-TWDATDSKSA-N
XLogP3.99
TPSA75.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.47
LogP ≤ 53.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

5-chloro-6-[(3S)-4-[1-[(1R)-1-(4-chlorophenyl)ethyl]piperidin-4-yl]-3-methylpiperazin-1-yl]-N-methylpyridine-3-carboxamide
CID 59427488
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
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-[(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-[(4-chlorophenyl)methyl]piperidin-4-yl]-3-methylpiperazin-1-yl]-N-(3,4-difluorophenyl)pyridine-3-carboxamide;molecular hydrogen
CID 159148188
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-[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-cyanophenyl)methyl]piperidin-4-yl]-3-methylpiperazin-1-yl]-N-[(3,4-difluorophenyl)methyl]pyridine-3-carboxamide
CID 59427740
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-N-[(3,4-dichlorophenyl)methyl]-6-[3-methyl-4-[1-[(4-nitrophenyl)methyl]piperidin-4-yl]piperazin-1-yl]pyridine-3-carboxamide;molecular hydrogen
CID 159550892
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

Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-[(3S)-4-[1-(4-chlorobenzenecarboximidoyl)piperidin-4-yl]-3-methylpiperazin-1-yl]-N-methylpyridine-3-carboxamide;molecular hydrogen?
The IUPAC name of 5-chloro-6-[(3S)-4-[1-(4-chlorobenzenecarboximidoyl)piperidin-4-yl]-3-methylpiperazin-1-yl]-N-methylpyridine-3-carboxamide;molecular hydrogen (CID 159683562) is 5-chloro-6-[(3S)-4-[1-(4-chlorobenzenecarboximidoyl)piperidin-4-yl]-3-methylpiperazin-1-yl]-N-methylpyridine-3-carboxamide;molecular hydrogen.
What is the SMILES notation for 5-chloro-6-[(3S)-4-[1-(4-chlorobenzenecarboximidoyl)piperidin-4-yl]-3-methylpiperazin-1-yl]-N-methylpyridine-3-carboxamide;molecular hydrogen?
The canonical SMILES for 5-chloro-6-[(3S)-4-[1-(4-chlorobenzenecarboximidoyl)piperidin-4-yl]-3-methylpiperazin-1-yl]-N-methylpyridine-3-carboxamide;molecular hydrogen is [H]/N=C(\c1ccc(Cl)cc1)N1CCC(N2CCN(c3ncc(C(=O)NC)cc3Cl)C[C@@H]2C)CC1.[H][H].
What is the InChIKey of 5-chloro-6-[(3S)-4-[1-(4-chlorobenzenecarboximidoyl)piperidin-4-yl]-3-methylpiperazin-1-yl]-N-methylpyridine-3-carboxamide;molecular hydrogen?
The InChIKey is MVMSLTFDMHMEKO-TWDATDSKSA-N. The full InChI is InChI=1S/C24H30Cl2N6O.H2/c1-16-15-31(23-21(26)13-18(14-29-23)24(33)28-2)11-12-32(16)20-7-9-30(10-8-20)22(27)17-3-5-19(25)6-4-17;/h3-6,13-14,16,20,27H,7-12,15H2,1-2H3,(H,28,33);1H/b27-22+;/t16-;/m0./s1.
What are the key properties of 5-chloro-6-[(3S)-4-[1-(4-chlorobenzenecarboximidoyl)piperidin-4-yl]-3-methylpiperazin-1-yl]-N-methylpyridine-3-carboxamide;molecular hydrogen?
5-chloro-6-[(3S)-4-[1-(4-chlorobenzenecarboximidoyl)piperidin-4-yl]-3-methylpiperazin-1-yl]-N-methylpyridine-3-carboxamide;molecular hydrogen has a molecular weight of 491.47 g/mol, XLogP of 3.99, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6-[(3S)-4-[1-(4-chlorobenzenecarboximidoyl)piperidin-4-yl]-3-methylpiperazin-1-yl]-N-methylpyridine-3-carboxamide;molecular hydrogen is sourced from PubChem (CID 159683562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).