4-[3-[(6-acetamidopyridine-3-carbonyl)amino]-2,4-difluoro-N-sulfinatoanilino]morpholine

C18H18F2N5O5S- — CID 91601945

IUPAC4-[3-[(6-acetamidopyridine-3-carbonyl)amino]-2,4-difluoro-N-sulfinatoanilino]morpholine
SMILESCC(=O)Nc1ccc(C(=O)Nc2c(F)ccc(N(N3CCOCC3)S(=O)[O-])c2F)cn1
InChIInChI=1S/C18H19F2N5O5S/c1-11(26)22-15-5-2-12(10-21-15)18(27)23-17-13(19)3-4-14(16(17)20)25(31(28)29)24-6-8-30-9-7-24/h2-5,10H,6-9H2,1H3,(H,23,27)(H,28,29)(H,21,22,26)/p-1
InChIKeyAMHJFKSSDZXWAK-UHFFFAOYSA-M
MW454.44 g/mol
LogP1.42
Rot. Bonds6

About 4-[3-[(6-acetamidopyridine-3-carbonyl)amino]-2,4-difluoro-N-sulfinatoanilino]morpholine

4-[3-[(6-acetamidopyridine-3-carbonyl)amino]-2,4-difluoro-N-sulfinatoanilino]morpholine (PubChem CID 91601945) has the molecular formula C18H18F2N5O5S- and a molecular weight of 454.44 g/mol. Its IUPAC name is 4-[3-[(6-acetamidopyridine-3-carbonyl)amino]-2,4-difluoro-N-sulfinatoanilino]morpholine.

Molecular Properties

Compound Name4-[3-[(6-acetamidopyridine-3-carbonyl)amino]-2,4-difluoro-N-sulfinatoanilino]morpholine
PubChem CID91601945
Molecular FormulaC18H18F2N5O5S-
Molecular Weight454.44 g/mol
Exact Mass454.10
IUPAC Name4-[3-[(6-acetamidopyridine-3-carbonyl)amino]-2,4-difluoro-N-sulfinatoanilino]morpholine
SMILESCC(=O)Nc1ccc(C(=O)Nc2c(F)ccc(N(N3CCOCC3)S(=O)[O-])c2F)cn1
InChIInChI=1S/C18H19F2N5O5S/c1-11(26)22-15-5-2-12(10-21-15)18(27)23-17-13(19)3-4-14(16(17)20)25(31(28)29)24-6-8-30-9-7-24/h2-5,10H,6-9H2,1H3,(H,23,27)(H,28,29)(H,21,22,26)/p-1
InChIKeyAMHJFKSSDZXWAK-UHFFFAOYSA-M
XLogP1.42
TPSA126.93 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.44
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

6-acetamido-N-[2,6-difluoro-3-(sulfonylamino)phenyl]pyridine-3-carboxamide
CID 121392864
2-acetamido-5-[[2,6-difluoro-3-(sulfinoamino)phenyl]carbamoyl]pyridine
CID 71035936
6-acetamido-N-[2,6-difluoro-3-(pyrrolidin-1-ylsulfonylamino)phenyl]pyridine-3-carboxamide
CID 59418562
6-acetamido-N-[2,6-difluoro-3-(piperidin-1-ylsulfonylamino)phenyl]pyridine-3-carboxamide
CID 59418536
N-(2,6-difluoro-3-methylphenyl)-6-hydrazinylpyridine-3-carboxamide
CID 82819363
N-(2,6-difluorophenyl)-6-(2-morpholin-4-ylethylamino)pyridine-3-carboxamide
CID 109154096
N-(5-methyl-2-pyridinyl)-6-morpholin-4-ylpyridine-3-carboxamide
CID 18142509
N-(5-morpholin-4-yl-2-pyridinyl)-6-(trifluoromethyl)pyridine-3-carboxamide
CID 38143196
4-fluoro-3,5-dimethyl-N-(5-morpholin-4-yl-2-pyridinyl)benzamide
CID 146084918
6-methoxy-N-(5-morpholin-4-yl-2-pyridinyl)pyridine-3-carboxamide
CID 134053283
N-(5-fluoro-2-pyridinyl)-6-(methylamino)pyridine-3-carboxamide
CID 65482281
N-(4-acetamidophenyl)-6-(2-morpholin-4-ylethylamino)pyridine-3-carboxamide
CID 109154071

Frequently Asked Questions

What is the IUPAC name of 4-[3-[(6-acetamidopyridine-3-carbonyl)amino]-2,4-difluoro-N-sulfinatoanilino]morpholine?
The IUPAC name of 4-[3-[(6-acetamidopyridine-3-carbonyl)amino]-2,4-difluoro-N-sulfinatoanilino]morpholine (CID 91601945) is 4-[3-[(6-acetamidopyridine-3-carbonyl)amino]-2,4-difluoro-N-sulfinatoanilino]morpholine.
What is the SMILES notation for 4-[3-[(6-acetamidopyridine-3-carbonyl)amino]-2,4-difluoro-N-sulfinatoanilino]morpholine?
The canonical SMILES for 4-[3-[(6-acetamidopyridine-3-carbonyl)amino]-2,4-difluoro-N-sulfinatoanilino]morpholine is CC(=O)Nc1ccc(C(=O)Nc2c(F)ccc(N(N3CCOCC3)S(=O)[O-])c2F)cn1.
What is the InChIKey of 4-[3-[(6-acetamidopyridine-3-carbonyl)amino]-2,4-difluoro-N-sulfinatoanilino]morpholine?
The InChIKey is AMHJFKSSDZXWAK-UHFFFAOYSA-M. The full InChI is InChI=1S/C18H19F2N5O5S/c1-11(26)22-15-5-2-12(10-21-15)18(27)23-17-13(19)3-4-14(16(17)20)25(31(28)29)24-6-8-30-9-7-24/h2-5,10H,6-9H2,1H3,(H,23,27)(H,28,29)(H,21,22,26)/p-1.
What are the key properties of 4-[3-[(6-acetamidopyridine-3-carbonyl)amino]-2,4-difluoro-N-sulfinatoanilino]morpholine?
4-[3-[(6-acetamidopyridine-3-carbonyl)amino]-2,4-difluoro-N-sulfinatoanilino]morpholine has a molecular weight of 454.44 g/mol, XLogP of 1.42, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[(6-acetamidopyridine-3-carbonyl)amino]-2,4-difluoro-N-sulfinatoanilino]morpholine is sourced from PubChem (CID 91601945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).