6-acetamido-N-[2,6-difluoro-3-(pyrrolidin-1-ylsulfonylamino)phenyl]pyridine-3-carboxamide

C18H19F2N5O4S — CID 59418562

IUPAC6-acetamido-N-[2,6-difluoro-3-(pyrrolidin-1-ylsulfonylamino)phenyl]pyridine-3-carboxamide
SMILESCC(=O)Nc1ccc(C(=O)Nc2c(F)ccc(NS(=O)(=O)N3CCCC3)c2F)cn1
InChIInChI=1S/C18H19F2N5O4S/c1-11(26)22-15-7-4-12(10-21-15)18(27)23-17-13(19)5-6-14(16(17)20)24-30(28,29)25-8-2-3-9-25/h4-7,10,24H,2-3,8-9H2,1H3,(H,23,27)(H,21,22,26)
InChIKeyPLUDDIKUYYFLFP-UHFFFAOYSA-N
MW439.44 g/mol
LogP2.32
Rot. Bonds6

About 6-acetamido-N-[2,6-difluoro-3-(pyrrolidin-1-ylsulfonylamino)phenyl]pyridine-3-carboxamide

6-acetamido-N-[2,6-difluoro-3-(pyrrolidin-1-ylsulfonylamino)phenyl]pyridine-3-carboxamide (PubChem CID 59418562) has the molecular formula C18H19F2N5O4S and a molecular weight of 439.44 g/mol. Its IUPAC name is 6-acetamido-N-[2,6-difluoro-3-(pyrrolidin-1-ylsulfonylamino)phenyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-acetamido-N-[2,6-difluoro-3-(pyrrolidin-1-ylsulfonylamino)phenyl]pyridine-3-carboxamide
PubChem CID59418562
Molecular FormulaC18H19F2N5O4S
Molecular Weight439.44 g/mol
Exact Mass439.11
IUPAC Name6-acetamido-N-[2,6-difluoro-3-(pyrrolidin-1-ylsulfonylamino)phenyl]pyridine-3-carboxamide
SMILESCC(=O)Nc1ccc(C(=O)Nc2c(F)ccc(NS(=O)(=O)N3CCCC3)c2F)cn1
InChIInChI=1S/C18H19F2N5O4S/c1-11(26)22-15-7-4-12(10-21-15)18(27)23-17-13(19)5-6-14(16(17)20)24-30(28,29)25-8-2-3-9-25/h4-7,10,24H,2-3,8-9H2,1H3,(H,23,27)(H,21,22,26)
InChIKeyPLUDDIKUYYFLFP-UHFFFAOYSA-N
XLogP2.32
TPSA120.50 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.44
LogP ≤ 52.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 6-acetamido-N-[2,6-difluoro-3-(pyrrolidin-1-ylsulfonylamino)phenyl]pyridine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-acetamido-N-[2,6-difluoro-3-(piperidin-1-ylsulfonylamino)phenyl]pyridine-3-carboxamide
CID 59418536
N-(6-acetamido-3-pyridinyl)-2,6-difluoro-3-(pyrrolidin-1-ylsulfonylamino)benzamide
CID 42647200
N-[2,6-difluoro-3-(pyrrolidin-1-ylsulfonylamino)phenyl]-1H-imidazo[4,5-b]pyridine-6-carboxamide
CID 59418510
2-acetamido-5-[[2,6-difluoro-3-(sulfinoamino)phenyl]carbamoyl]pyridine
CID 71035936
6-acetamido-N-[2,6-difluoro-3-(sulfonylamino)phenyl]pyridine-3-carboxamide
CID 121392864
4-[3-[(6-acetamidopyridine-3-carbonyl)amino]-2,4-difluoro-N-sulfinatoanilino]morpholine
CID 91601945
N-(2,6-difluoro-3-methylphenyl)-6-hydrazinylpyridine-3-carboxamide
CID 82819363
N-(6-acetamido-3-pyridinyl)-3-(cyclopentylsulfonylamino)-2,6-difluorobenzamide
CID 42646968
N-(5-chloro-2-pyridinyl)-4-methyl-3-pyrrolidin-1-ylsulfonylbenzamide
CID 1217132
N-[2,6-difluoro-3-[(4-propan-2-ylphenyl)sulfonylamino]phenyl]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide
CID 59418546
N-[3-[(2,5-difluorophenyl)sulfonylamino]-2,6-difluorophenyl]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide
CID 59418454
N-(5-chloro-2-pyridinyl)-4-methyl-3-piperidin-1-ylsulfonylbenzamide
CID 1102150

Frequently Asked Questions

What is the IUPAC name of 6-acetamido-N-[2,6-difluoro-3-(pyrrolidin-1-ylsulfonylamino)phenyl]pyridine-3-carboxamide?
The IUPAC name of 6-acetamido-N-[2,6-difluoro-3-(pyrrolidin-1-ylsulfonylamino)phenyl]pyridine-3-carboxamide (CID 59418562) is 6-acetamido-N-[2,6-difluoro-3-(pyrrolidin-1-ylsulfonylamino)phenyl]pyridine-3-carboxamide.
What is the SMILES notation for 6-acetamido-N-[2,6-difluoro-3-(pyrrolidin-1-ylsulfonylamino)phenyl]pyridine-3-carboxamide?
The canonical SMILES for 6-acetamido-N-[2,6-difluoro-3-(pyrrolidin-1-ylsulfonylamino)phenyl]pyridine-3-carboxamide is CC(=O)Nc1ccc(C(=O)Nc2c(F)ccc(NS(=O)(=O)N3CCCC3)c2F)cn1.
What is the InChIKey of 6-acetamido-N-[2,6-difluoro-3-(pyrrolidin-1-ylsulfonylamino)phenyl]pyridine-3-carboxamide?
The InChIKey is PLUDDIKUYYFLFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F2N5O4S/c1-11(26)22-15-7-4-12(10-21-15)18(27)23-17-13(19)5-6-14(16(17)20)24-30(28,29)25-8-2-3-9-25/h4-7,10,24H,2-3,8-9H2,1H3,(H,23,27)(H,21,22,26).
What are the key properties of 6-acetamido-N-[2,6-difluoro-3-(pyrrolidin-1-ylsulfonylamino)phenyl]pyridine-3-carboxamide?
6-acetamido-N-[2,6-difluoro-3-(pyrrolidin-1-ylsulfonylamino)phenyl]pyridine-3-carboxamide has a molecular weight of 439.44 g/mol, XLogP of 2.32, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-acetamido-N-[2,6-difluoro-3-(pyrrolidin-1-ylsulfonylamino)phenyl]pyridine-3-carboxamide is sourced from PubChem (CID 59418562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).