5-chloro-6-[4-[1-[(4-chlorophenyl)methyl]-3-methylpiperidin-4-yl]piperazin-1-yl]-N-methylpyridine-3-carboxamide

C24H31Cl2N5O — CID 53319880

IUPAC5-chloro-6-[4-[1-[(4-chlorophenyl)methyl]-3-methylpiperidin-4-yl]piperazin-1-yl]-N-methylpyridine-3-carboxamide
SMILESCNC(=O)c1cnc(N2CCN(C3CCN(Cc4ccc(Cl)cc4)CC3C)CC2)c(Cl)c1
InChIInChI=1S/C24H31Cl2N5O/c1-17-15-29(16-18-3-5-20(25)6-4-18)8-7-22(17)30-9-11-31(12-10-30)23-21(26)13-19(14-28-23)24(32)27-2/h3-6,13-14,17,22H,7-12,15-16H2,1-2H3,(H,27,32)
InChIKeyGTDDHUPTJCXBTB-UHFFFAOYSA-N
MW476.45 g/mol
LogP3.78
Rot. Bonds5

About 5-chloro-6-[4-[1-[(4-chlorophenyl)methyl]-3-methylpiperidin-4-yl]piperazin-1-yl]-N-methylpyridine-3-carboxamide

5-chloro-6-[4-[1-[(4-chlorophenyl)methyl]-3-methylpiperidin-4-yl]piperazin-1-yl]-N-methylpyridine-3-carboxamide (PubChem CID 53319880) has the molecular formula C24H31Cl2N5O and a molecular weight of 476.45 g/mol. Its IUPAC name is 5-chloro-6-[4-[1-[(4-chlorophenyl)methyl]-3-methylpiperidin-4-yl]piperazin-1-yl]-N-methylpyridine-3-carboxamide.

Molecular Properties

Compound Name5-chloro-6-[4-[1-[(4-chlorophenyl)methyl]-3-methylpiperidin-4-yl]piperazin-1-yl]-N-methylpyridine-3-carboxamide
PubChem CID53319880
Molecular FormulaC24H31Cl2N5O
Molecular Weight476.45 g/mol
Exact Mass475.19
IUPAC Name5-chloro-6-[4-[1-[(4-chlorophenyl)methyl]-3-methylpiperidin-4-yl]piperazin-1-yl]-N-methylpyridine-3-carboxamide
SMILESCNC(=O)c1cnc(N2CCN(C3CCN(Cc4ccc(Cl)cc4)CC3C)CC2)c(Cl)c1
InChIInChI=1S/C24H31Cl2N5O/c1-17-15-29(16-18-3-5-20(25)6-4-18)8-7-22(17)30-9-11-31(12-10-30)23-21(26)13-19(14-28-23)24(32)27-2/h3-6,13-14,17,22H,7-12,15-16H2,1-2H3,(H,27,32)
InChIKeyGTDDHUPTJCXBTB-UHFFFAOYSA-N
XLogP3.78
TPSA51.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.45
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-chloro-6-[4-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]piperazin-1-yl]-N-cyclohexylpyridine-3-carboxamide;molecular hydrogen
CID 158191635
5-chloro-6-[4-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]piperazin-1-yl]-N-[(3,4-difluorophenyl)methyl]pyridine-3-carboxamide
CID 53322504
5-chloro-6-[4-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]piperazin-1-yl]-N-[(3,4-difluorophenyl)methyl]pyridine-3-carboxamide;molecular hydrogen
CID 160941986
5-chloro-6-[4-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]piperazin-1-yl]-N-(2-phenoxyethyl)pyridine-3-carboxamide
CID 11713886
5-chloro-N-[(3,4-difluorophenyl)methyl]-6-[4-[1-[(4-methylphenyl)methyl]piperidin-4-yl]piperazin-1-yl]pyridine-3-carboxamide
CID 143279812
5-chloro-N-[(3,4-dichlorophenyl)methyl]-6-[4-[1-[(4-methylphenyl)methyl]piperidin-4-yl]piperazin-1-yl]pyridine-3-carboxamide
CID 11685707
5-chloro-6-[4-[1-[(4-cyanophenyl)methyl]piperidin-4-yl]piperazin-1-yl]-N-cyclopentylpyridine-3-carboxamide
CID 59427454
5-chloro-6-[(3S)-4-[1-[(2-chlorophenyl)methyl]piperidin-4-yl]-3-methylpiperazin-1-yl]-N-methylpyridine-3-carboxamide
CID 59427517
5-chloro-N-[(3-chloro-4-fluorophenyl)methyl]-6-[4-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]piperazin-1-yl]pyridine-3-carboxamide
CID 59427580
N-[(4-bromophenyl)methyl]-5-chloro-6-[4-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]piperazin-1-yl]pyridine-3-carboxamide
CID 59427572
1-[5-chloro-6-[4-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]piperazin-1-yl]-3-pyridinyl]-3-(3,4-dichlorophenyl)urea
CID 45484740
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

Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-[4-[1-[(4-chlorophenyl)methyl]-3-methylpiperidin-4-yl]piperazin-1-yl]-N-methylpyridine-3-carboxamide?
The IUPAC name of 5-chloro-6-[4-[1-[(4-chlorophenyl)methyl]-3-methylpiperidin-4-yl]piperazin-1-yl]-N-methylpyridine-3-carboxamide (CID 53319880) is 5-chloro-6-[4-[1-[(4-chlorophenyl)methyl]-3-methylpiperidin-4-yl]piperazin-1-yl]-N-methylpyridine-3-carboxamide.
What is the SMILES notation for 5-chloro-6-[4-[1-[(4-chlorophenyl)methyl]-3-methylpiperidin-4-yl]piperazin-1-yl]-N-methylpyridine-3-carboxamide?
The canonical SMILES for 5-chloro-6-[4-[1-[(4-chlorophenyl)methyl]-3-methylpiperidin-4-yl]piperazin-1-yl]-N-methylpyridine-3-carboxamide is CNC(=O)c1cnc(N2CCN(C3CCN(Cc4ccc(Cl)cc4)CC3C)CC2)c(Cl)c1.
What is the InChIKey of 5-chloro-6-[4-[1-[(4-chlorophenyl)methyl]-3-methylpiperidin-4-yl]piperazin-1-yl]-N-methylpyridine-3-carboxamide?
The InChIKey is GTDDHUPTJCXBTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31Cl2N5O/c1-17-15-29(16-18-3-5-20(25)6-4-18)8-7-22(17)30-9-11-31(12-10-30)23-21(26)13-19(14-28-23)24(32)27-2/h3-6,13-14,17,22H,7-12,15-16H2,1-2H3,(H,27,32).
What are the key properties of 5-chloro-6-[4-[1-[(4-chlorophenyl)methyl]-3-methylpiperidin-4-yl]piperazin-1-yl]-N-methylpyridine-3-carboxamide?
5-chloro-6-[4-[1-[(4-chlorophenyl)methyl]-3-methylpiperidin-4-yl]piperazin-1-yl]-N-methylpyridine-3-carboxamide has a molecular weight of 476.45 g/mol, XLogP of 3.78, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6-[4-[1-[(4-chlorophenyl)methyl]-3-methylpiperidin-4-yl]piperazin-1-yl]-N-methylpyridine-3-carboxamide is sourced from PubChem (CID 53319880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).