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

C19H21F2N5O4S — CID 59418536

IUPAC6-acetamido-N-[2,6-difluoro-3-(piperidin-1-ylsulfonylamino)phenyl]pyridine-3-carboxamide
SMILESCC(=O)Nc1ccc(C(=O)Nc2c(F)ccc(NS(=O)(=O)N3CCCCC3)c2F)cn1
InChIInChI=1S/C19H21F2N5O4S/c1-12(27)23-16-8-5-13(11-22-16)19(28)24-18-14(20)6-7-15(17(18)21)25-31(29,30)26-9-3-2-4-10-26/h5-8,11,25H,2-4,9-10H2,1H3,(H,24,28)(H,22,23,27)
InChIKeyVFRNDAKLIXXFBP-UHFFFAOYSA-N
MW453.47 g/mol
LogP2.71
Rot. Bonds6

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

6-acetamido-N-[2,6-difluoro-3-(piperidin-1-ylsulfonylamino)phenyl]pyridine-3-carboxamide (PubChem CID 59418536) has the molecular formula C19H21F2N5O4S and a molecular weight of 453.47 g/mol. Its IUPAC name is 6-acetamido-N-[2,6-difluoro-3-(piperidin-1-ylsulfonylamino)phenyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-acetamido-N-[2,6-difluoro-3-(piperidin-1-ylsulfonylamino)phenyl]pyridine-3-carboxamide
PubChem CID59418536
Molecular FormulaC19H21F2N5O4S
Molecular Weight453.47 g/mol
Exact Mass453.13
IUPAC Name6-acetamido-N-[2,6-difluoro-3-(piperidin-1-ylsulfonylamino)phenyl]pyridine-3-carboxamide
SMILESCC(=O)Nc1ccc(C(=O)Nc2c(F)ccc(NS(=O)(=O)N3CCCCC3)c2F)cn1
InChIInChI=1S/C19H21F2N5O4S/c1-12(27)23-16-8-5-13(11-22-16)19(28)24-18-14(20)6-7-15(17(18)21)25-31(29,30)26-9-3-2-4-10-26/h5-8,11,25H,2-4,9-10H2,1H3,(H,24,28)(H,22,23,27)
InChIKeyVFRNDAKLIXXFBP-UHFFFAOYSA-N
XLogP2.71
TPSA120.50 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.47
LogP ≤ 52.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

6-acetamido-N-[2,6-difluoro-3-(pyrrolidin-1-ylsulfonylamino)phenyl]pyridine-3-carboxamide
CID 59418562
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-piperidin-1-ylsulfonylbenzamide
CID 1102150
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

Frequently Asked Questions

What is the IUPAC name of 6-acetamido-N-[2,6-difluoro-3-(piperidin-1-ylsulfonylamino)phenyl]pyridine-3-carboxamide?
The IUPAC name of 6-acetamido-N-[2,6-difluoro-3-(piperidin-1-ylsulfonylamino)phenyl]pyridine-3-carboxamide (CID 59418536) is 6-acetamido-N-[2,6-difluoro-3-(piperidin-1-ylsulfonylamino)phenyl]pyridine-3-carboxamide.
What is the SMILES notation for 6-acetamido-N-[2,6-difluoro-3-(piperidin-1-ylsulfonylamino)phenyl]pyridine-3-carboxamide?
The canonical SMILES for 6-acetamido-N-[2,6-difluoro-3-(piperidin-1-ylsulfonylamino)phenyl]pyridine-3-carboxamide is CC(=O)Nc1ccc(C(=O)Nc2c(F)ccc(NS(=O)(=O)N3CCCCC3)c2F)cn1.
What is the InChIKey of 6-acetamido-N-[2,6-difluoro-3-(piperidin-1-ylsulfonylamino)phenyl]pyridine-3-carboxamide?
The InChIKey is VFRNDAKLIXXFBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21F2N5O4S/c1-12(27)23-16-8-5-13(11-22-16)19(28)24-18-14(20)6-7-15(17(18)21)25-31(29,30)26-9-3-2-4-10-26/h5-8,11,25H,2-4,9-10H2,1H3,(H,24,28)(H,22,23,27).
What are the key properties of 6-acetamido-N-[2,6-difluoro-3-(piperidin-1-ylsulfonylamino)phenyl]pyridine-3-carboxamide?
6-acetamido-N-[2,6-difluoro-3-(piperidin-1-ylsulfonylamino)phenyl]pyridine-3-carboxamide has a molecular weight of 453.47 g/mol, XLogP of 2.71, 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-(piperidin-1-ylsulfonylamino)phenyl]pyridine-3-carboxamide is sourced from PubChem (CID 59418536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).