N-[2-(3,5-dichloro-2-pyridinyl)-5-methylpyrazol-3-yl]-6-(1,3-dioxoisoindol-2-yl)hexanamide

C23H21Cl2N5O3 — CID 108756105

IUPACN-[2-(3,5-dichloro-2-pyridinyl)-5-methylpyrazol-3-yl]-6-(1,3-dioxoisoindol-2-yl)hexanamide
SMILESCc1cc(NC(=O)CCCCCN2C(=O)c3ccccc3C2=O)n(-c2ncc(Cl)cc2Cl)n1
InChIInChI=1S/C23H21Cl2N5O3/c1-14-11-19(30(28-14)21-18(25)12-15(24)13-26-21)27-20(31)9-3-2-6-10-29-22(32)16-7-4-5-8-17(16)23(29)33/h4-5,7-8,11-13H,2-3,6,9-10H2,1H3,(H,27,31)
InChIKeyXGVVLUFVQAJUEY-UHFFFAOYSA-N
MW486.36 g/mol
LogP4.68
Rot. Bonds8

About N-[2-(3,5-dichloro-2-pyridinyl)-5-methylpyrazol-3-yl]-6-(1,3-dioxoisoindol-2-yl)hexanamide

N-[2-(3,5-dichloro-2-pyridinyl)-5-methylpyrazol-3-yl]-6-(1,3-dioxoisoindol-2-yl)hexanamide (PubChem CID 108756105) has the molecular formula C23H21Cl2N5O3 and a molecular weight of 486.36 g/mol. Its IUPAC name is N-[2-(3,5-dichloro-2-pyridinyl)-5-methylpyrazol-3-yl]-6-(1,3-dioxoisoindol-2-yl)hexanamide.

Molecular Properties

Compound NameN-[2-(3,5-dichloro-2-pyridinyl)-5-methylpyrazol-3-yl]-6-(1,3-dioxoisoindol-2-yl)hexanamide
PubChem CID108756105
Molecular FormulaC23H21Cl2N5O3
Molecular Weight486.36 g/mol
Exact Mass485.10
IUPAC NameN-[2-(3,5-dichloro-2-pyridinyl)-5-methylpyrazol-3-yl]-6-(1,3-dioxoisoindol-2-yl)hexanamide
SMILESCc1cc(NC(=O)CCCCCN2C(=O)c3ccccc3C2=O)n(-c2ncc(Cl)cc2Cl)n1
InChIInChI=1S/C23H21Cl2N5O3/c1-14-11-19(30(28-14)21-18(25)12-15(24)13-26-21)27-20(31)9-3-2-6-10-29-22(32)16-7-4-5-8-17(16)23(29)33/h4-5,7-8,11-13H,2-3,6,9-10H2,1H3,(H,27,31)
InChIKeyXGVVLUFVQAJUEY-UHFFFAOYSA-N
XLogP4.68
TPSA97.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.36
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

3-chloro-N-[2-(3,5-dichloro-2-pyridinyl)-5-methylpyrazol-3-yl]propanamide
CID 108756176
N-[2-(3,5-dichloro-2-pyridinyl)-5-methylpyrazol-3-yl]-4-(4-methylphenyl)-4-oxobutanamide
CID 108732713
N-[2-(3,5-dichloro-2-pyridinyl)-5-methylpyrazol-3-yl]-2-(1,3-dioxoisoindol-2-yl)-4-methylpentanamide
CID 108756112
1-(4-chlorophenyl)-3-[2-(3,5-dichloro-2-pyridinyl)-5-methylpyrazol-3-yl]urea
CID 108781467
2-chloro-N-[2-(3,5-dichloro-2-pyridinyl)-5-methylpyrazol-3-yl]-6-fluorobenzamide
CID 108732661
3-(1,3-dioxoisoindol-2-yl)-N-[5-methyl-2-(4-nitrophenyl)pyrazol-3-yl]propanamide
CID 55507513
6-(1,3-dioxoisoindol-2-yl)-N-(1-methylpyrazol-3-yl)hexanamide
CID 19405045
(E)-N-[2-(3,5-dichloro-2-pyridinyl)-5-methylpyrazol-3-yl]-3-(4-phenylmethoxyphenyl)prop-2-enamide
CID 108756175
2-(1,3-dioxoisoindol-2-yl)-N-[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]acetamide
CID 46583198
6-(1,3-dioxoisoindol-2-yl)-N-pyridin-2-ylhexanamide
CID 565136
N-[4-[(4,6-dimethylpyrimidin-2-yl)amino]phenyl]-6-(1,3-dioxoisoindol-2-yl)hexanamide
CID 108765888
2-(4-chlorophenoxy)-N-[2-(3,5-dichloro-2-pyridinyl)-5-methylpyrazol-3-yl]-2-methylpropanamide
CID 108756054

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,5-dichloro-2-pyridinyl)-5-methylpyrazol-3-yl]-6-(1,3-dioxoisoindol-2-yl)hexanamide?
The IUPAC name of N-[2-(3,5-dichloro-2-pyridinyl)-5-methylpyrazol-3-yl]-6-(1,3-dioxoisoindol-2-yl)hexanamide (CID 108756105) is N-[2-(3,5-dichloro-2-pyridinyl)-5-methylpyrazol-3-yl]-6-(1,3-dioxoisoindol-2-yl)hexanamide.
What is the SMILES notation for N-[2-(3,5-dichloro-2-pyridinyl)-5-methylpyrazol-3-yl]-6-(1,3-dioxoisoindol-2-yl)hexanamide?
The canonical SMILES for N-[2-(3,5-dichloro-2-pyridinyl)-5-methylpyrazol-3-yl]-6-(1,3-dioxoisoindol-2-yl)hexanamide is Cc1cc(NC(=O)CCCCCN2C(=O)c3ccccc3C2=O)n(-c2ncc(Cl)cc2Cl)n1.
What is the InChIKey of N-[2-(3,5-dichloro-2-pyridinyl)-5-methylpyrazol-3-yl]-6-(1,3-dioxoisoindol-2-yl)hexanamide?
The InChIKey is XGVVLUFVQAJUEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21Cl2N5O3/c1-14-11-19(30(28-14)21-18(25)12-15(24)13-26-21)27-20(31)9-3-2-6-10-29-22(32)16-7-4-5-8-17(16)23(29)33/h4-5,7-8,11-13H,2-3,6,9-10H2,1H3,(H,27,31).
What are the key properties of N-[2-(3,5-dichloro-2-pyridinyl)-5-methylpyrazol-3-yl]-6-(1,3-dioxoisoindol-2-yl)hexanamide?
N-[2-(3,5-dichloro-2-pyridinyl)-5-methylpyrazol-3-yl]-6-(1,3-dioxoisoindol-2-yl)hexanamide has a molecular weight of 486.36 g/mol, XLogP of 4.68, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,5-dichloro-2-pyridinyl)-5-methylpyrazol-3-yl]-6-(1,3-dioxoisoindol-2-yl)hexanamide is sourced from PubChem (CID 108756105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).