5-chloro-6-[(3S)-4-[1-[(2,6-difluorophenyl)methyl]piperidin-4-yl]-3-methylpiperazin-1-yl]-N-methylpyridine-3-carboxamide;molecular hydrogen

C24H32ClF2N5O — CID 158222801

IUPAC5-chloro-6-[(3S)-4-[1-[(2,6-difluorophenyl)methyl]piperidin-4-yl]-3-methylpiperazin-1-yl]-N-methylpyridine-3-carboxamide;molecular hydrogen
SMILESCNC(=O)c1cnc(N2CCN(C3CCN(Cc4c(F)cccc4F)CC3)[C@@H](C)C2)c(Cl)c1.[H][H]
InChIInChI=1S/C24H30ClF2N5O.H2/c1-16-14-31(23-20(25)12-17(13-29-23)24(33)28-2)10-11-32(16)18-6-8-30(9-7-18)15-19-21(26)4-3-5-22(19)27;/h3-5,12-13,16,18H,6-11,14-15H2,1-2H3,(H,28,33);1H/t16-;/m0./s1
InChIKeyGDLGKIRZDKACOE-NTISSMGPSA-N
MW480.00 g/mol
LogP3.79
Rot. Bonds5

About 5-chloro-6-[(3S)-4-[1-[(2,6-difluorophenyl)methyl]piperidin-4-yl]-3-methylpiperazin-1-yl]-N-methylpyridine-3-carboxamide;molecular hydrogen

5-chloro-6-[(3S)-4-[1-[(2,6-difluorophenyl)methyl]piperidin-4-yl]-3-methylpiperazin-1-yl]-N-methylpyridine-3-carboxamide;molecular hydrogen (PubChem CID 158222801) has the molecular formula C24H32ClF2N5O and a molecular weight of 480.00 g/mol. Its IUPAC name is 5-chloro-6-[(3S)-4-[1-[(2,6-difluorophenyl)methyl]piperidin-4-yl]-3-methylpiperazin-1-yl]-N-methylpyridine-3-carboxamide;molecular hydrogen.

Molecular Properties

Compound Name5-chloro-6-[(3S)-4-[1-[(2,6-difluorophenyl)methyl]piperidin-4-yl]-3-methylpiperazin-1-yl]-N-methylpyridine-3-carboxamide;molecular hydrogen
PubChem CID158222801
Molecular FormulaC24H32ClF2N5O
Molecular Weight480.00 g/mol
Exact Mass479.23
IUPAC Name5-chloro-6-[(3S)-4-[1-[(2,6-difluorophenyl)methyl]piperidin-4-yl]-3-methylpiperazin-1-yl]-N-methylpyridine-3-carboxamide;molecular hydrogen
SMILESCNC(=O)c1cnc(N2CCN(C3CCN(Cc4c(F)cccc4F)CC3)[C@@H](C)C2)c(Cl)c1.[H][H]
InChIInChI=1S/C24H30ClF2N5O.H2/c1-16-14-31(23-20(25)12-17(13-29-23)24(33)28-2)10-11-32(16)18-6-8-30(9-7-18)15-19-21(26)4-3-5-22(19)27;/h3-5,12-13,16,18H,6-11,14-15H2,1-2H3,(H,28,33);1H/t16-;/m0./s1
InChIKeyGDLGKIRZDKACOE-NTISSMGPSA-N
XLogP3.79
TPSA51.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.00
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-[(3S)-4-[1-[(2,6-difluorophenyl)methyl]piperidin-4-yl]-3-methylpiperazin-1-yl]-N-methylpyridine-3-carboxamide;molecular hydrogen?
The IUPAC name of 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) is 5-chloro-6-[(3S)-4-[1-[(2,6-difluorophenyl)methyl]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-[(2,6-difluorophenyl)methyl]piperidin-4-yl]-3-methylpiperazin-1-yl]-N-methylpyridine-3-carboxamide;molecular hydrogen?
The canonical SMILES for 5-chloro-6-[(3S)-4-[1-[(2,6-difluorophenyl)methyl]piperidin-4-yl]-3-methylpiperazin-1-yl]-N-methylpyridine-3-carboxamide;molecular hydrogen is CNC(=O)c1cnc(N2CCN(C3CCN(Cc4c(F)cccc4F)CC3)[C@@H](C)C2)c(Cl)c1.[H][H].
What is the InChIKey of 5-chloro-6-[(3S)-4-[1-[(2,6-difluorophenyl)methyl]piperidin-4-yl]-3-methylpiperazin-1-yl]-N-methylpyridine-3-carboxamide;molecular hydrogen?
The InChIKey is GDLGKIRZDKACOE-NTISSMGPSA-N. The full InChI is InChI=1S/C24H30ClF2N5O.H2/c1-16-14-31(23-20(25)12-17(13-29-23)24(33)28-2)10-11-32(16)18-6-8-30(9-7-18)15-19-21(26)4-3-5-22(19)27;/h3-5,12-13,16,18H,6-11,14-15H2,1-2H3,(H,28,33);1H/t16-;/m0./s1.
What are the key properties of 5-chloro-6-[(3S)-4-[1-[(2,6-difluorophenyl)methyl]piperidin-4-yl]-3-methylpiperazin-1-yl]-N-methylpyridine-3-carboxamide;molecular hydrogen?
5-chloro-6-[(3S)-4-[1-[(2,6-difluorophenyl)methyl]piperidin-4-yl]-3-methylpiperazin-1-yl]-N-methylpyridine-3-carboxamide;molecular hydrogen has a molecular weight of 480.00 g/mol, XLogP of 3.79, 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-[(2,6-difluorophenyl)methyl]piperidin-4-yl]-3-methylpiperazin-1-yl]-N-methylpyridine-3-carboxamide;molecular hydrogen is sourced from PubChem (CID 158222801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).