N-[4-[6-chloro-5-[(4-cyanophenyl)sulfonylamino]-4-methyl-3-pyridinyl]-2-pyridinyl]acetamide

C20H16ClN5O3S — CID 118249018

IUPACN-[4-[6-chloro-5-[(4-cyanophenyl)sulfonylamino]-4-methyl-3-pyridinyl]-2-pyridinyl]acetamide
SMILESCC(=O)Nc1cc(-c2cnc(Cl)c(NS(=O)(=O)c3ccc(C#N)cc3)c2C)ccn1
InChIInChI=1S/C20H16ClN5O3S/c1-12-17(15-7-8-23-18(9-15)25-13(2)27)11-24-20(21)19(12)26-30(28,29)16-5-3-14(10-22)4-6-16/h3-9,11,26H,1-2H3,(H,23,25,27)
InChIKeyCFXQKMVUJLJXHJ-UHFFFAOYSA-N
MW441.90 g/mol
LogP3.74
Rot. Bonds5

About N-[4-[6-chloro-5-[(4-cyanophenyl)sulfonylamino]-4-methyl-3-pyridinyl]-2-pyridinyl]acetamide

N-[4-[6-chloro-5-[(4-cyanophenyl)sulfonylamino]-4-methyl-3-pyridinyl]-2-pyridinyl]acetamide (PubChem CID 118249018) has the molecular formula C20H16ClN5O3S and a molecular weight of 441.90 g/mol. Its IUPAC name is N-[4-[6-chloro-5-[(4-cyanophenyl)sulfonylamino]-4-methyl-3-pyridinyl]-2-pyridinyl]acetamide.

Molecular Properties

Compound NameN-[4-[6-chloro-5-[(4-cyanophenyl)sulfonylamino]-4-methyl-3-pyridinyl]-2-pyridinyl]acetamide
PubChem CID118249018
Molecular FormulaC20H16ClN5O3S
Molecular Weight441.90 g/mol
Exact Mass441.07
IUPAC NameN-[4-[6-chloro-5-[(4-cyanophenyl)sulfonylamino]-4-methyl-3-pyridinyl]-2-pyridinyl]acetamide
SMILESCC(=O)Nc1cc(-c2cnc(Cl)c(NS(=O)(=O)c3ccc(C#N)cc3)c2C)ccn1
InChIInChI=1S/C20H16ClN5O3S/c1-12-17(15-7-8-23-18(9-15)25-13(2)27)11-24-20(21)19(12)26-30(28,29)16-5-3-14(10-22)4-6-16/h3-9,11,26H,1-2H3,(H,23,25,27)
InChIKeyCFXQKMVUJLJXHJ-UHFFFAOYSA-N
XLogP3.74
TPSA124.84 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.90
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

N-[6-[6-chloro-5-[(4-fluorophenyl)sulfonylamino]-3-pyridinyl]imidazo[1,2-a]pyridin-2-yl]acetamide
CID 44125377
N-[5-(6-amino-3-pyridinyl)-2-chloro-3-pyridinyl]benzenesulfonamide
CID 87570781
N-[5-(1-acetylpyrrolo[2,3-b]pyridin-5-yl)-2-chloro-3-pyridinyl]benzenesulfonamide
CID 141754900
N-[(4-chlorophenyl)methyl]-2-[(4-methylphenyl)sulfonyl-pyridin-2-ylamino]acetamide
CID 44439619
N-[(4-chlorophenyl)methyl]-2-[(4-methylphenyl)sulfonyl-(3-methyl-2-pyridinyl)amino]acetamide
CID 44439621
N-[(4-chlorophenyl)methyl]-2-[(4-methylphenyl)sulfonyl-(5-methyl-2-pyridinyl)amino]acetamide
CID 44439628
4-(3-cyano-2-pyridinyl)-N-(4-sulfamoylphenyl)piperazine-1-carboxamide
CID 122187642
3-[5-[5-(Benzenesulfonamido)-6-chloro-3-pyridinyl]-2-pyridinyl]-1,1-dimethylurea
CID 145966313
N-[5-[5-(benzenesulfonamido)-6-chloro-3-pyridinyl]-2-pyridinyl]acetamide
CID 145973794
N-[5-[5-(benzenesulfonamido)-6-chloro-3-pyridinyl]-2-pyridinyl]cyclopropanecarboxamide
CID 145975623
N-[4-(4-chlorophenyl)-3-cyano-1-(4-sulfamoylphenyl)pyrrol-2-yl]acetamide
CID 162650316
N-[2-chloro-5-(2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-5-yl)-3-pyridinyl]benzenesulfonamide
CID 164621396

Frequently Asked Questions

What is the IUPAC name of N-[4-[6-chloro-5-[(4-cyanophenyl)sulfonylamino]-4-methyl-3-pyridinyl]-2-pyridinyl]acetamide?
The IUPAC name of N-[4-[6-chloro-5-[(4-cyanophenyl)sulfonylamino]-4-methyl-3-pyridinyl]-2-pyridinyl]acetamide (CID 118249018) is N-[4-[6-chloro-5-[(4-cyanophenyl)sulfonylamino]-4-methyl-3-pyridinyl]-2-pyridinyl]acetamide.
What is the SMILES notation for N-[4-[6-chloro-5-[(4-cyanophenyl)sulfonylamino]-4-methyl-3-pyridinyl]-2-pyridinyl]acetamide?
The canonical SMILES for N-[4-[6-chloro-5-[(4-cyanophenyl)sulfonylamino]-4-methyl-3-pyridinyl]-2-pyridinyl]acetamide is CC(=O)Nc1cc(-c2cnc(Cl)c(NS(=O)(=O)c3ccc(C#N)cc3)c2C)ccn1.
What is the InChIKey of N-[4-[6-chloro-5-[(4-cyanophenyl)sulfonylamino]-4-methyl-3-pyridinyl]-2-pyridinyl]acetamide?
The InChIKey is CFXQKMVUJLJXHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16ClN5O3S/c1-12-17(15-7-8-23-18(9-15)25-13(2)27)11-24-20(21)19(12)26-30(28,29)16-5-3-14(10-22)4-6-16/h3-9,11,26H,1-2H3,(H,23,25,27).
What are the key properties of N-[4-[6-chloro-5-[(4-cyanophenyl)sulfonylamino]-4-methyl-3-pyridinyl]-2-pyridinyl]acetamide?
N-[4-[6-chloro-5-[(4-cyanophenyl)sulfonylamino]-4-methyl-3-pyridinyl]-2-pyridinyl]acetamide has a molecular weight of 441.90 g/mol, XLogP of 3.74, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[6-chloro-5-[(4-cyanophenyl)sulfonylamino]-4-methyl-3-pyridinyl]-2-pyridinyl]acetamide is sourced from PubChem (CID 118249018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).