N-(3,4-difluorophenyl)-6-[(3-ethyl-5-methoxy-1-methylpyrazol-4-yl)methylamino]pyridine-3-sulfonamide

C19H21F2N5O3S — CID 133445569

IUPACN-(3,4-difluorophenyl)-6-[(3-ethyl-5-methoxy-1-methylpyrazol-4-yl)methylamino]pyridine-3-sulfonamide
SMILESCCc1nn(C)c(OC)c1CNc1ccc(S(=O)(=O)Nc2ccc(F)c(F)c2)cn1
InChIInChI=1S/C19H21F2N5O3S/c1-4-17-14(19(29-3)26(2)24-17)11-23-18-8-6-13(10-22-18)30(27,28)25-12-5-7-15(20)16(21)9-12/h5-10,25H,4,11H2,1-3H3,(H,22,23)
InChIKeyUCDBCMRDOUYKDZ-UHFFFAOYSA-N
MW437.47 g/mol
LogP3.08
Rot. Bonds8

About N-(3,4-difluorophenyl)-6-[(3-ethyl-5-methoxy-1-methylpyrazol-4-yl)methylamino]pyridine-3-sulfonamide

N-(3,4-difluorophenyl)-6-[(3-ethyl-5-methoxy-1-methylpyrazol-4-yl)methylamino]pyridine-3-sulfonamide (PubChem CID 133445569) has the molecular formula C19H21F2N5O3S and a molecular weight of 437.47 g/mol. Its IUPAC name is N-(3,4-difluorophenyl)-6-[(3-ethyl-5-methoxy-1-methylpyrazol-4-yl)methylamino]pyridine-3-sulfonamide.

Molecular Properties

Compound NameN-(3,4-difluorophenyl)-6-[(3-ethyl-5-methoxy-1-methylpyrazol-4-yl)methylamino]pyridine-3-sulfonamide
PubChem CID133445569
Molecular FormulaC19H21F2N5O3S
Molecular Weight437.47 g/mol
Exact Mass437.13
IUPAC NameN-(3,4-difluorophenyl)-6-[(3-ethyl-5-methoxy-1-methylpyrazol-4-yl)methylamino]pyridine-3-sulfonamide
SMILESCCc1nn(C)c(OC)c1CNc1ccc(S(=O)(=O)Nc2ccc(F)c(F)c2)cn1
InChIInChI=1S/C19H21F2N5O3S/c1-4-17-14(19(29-3)26(2)24-17)11-23-18-8-6-13(10-22-18)30(27,28)25-12-5-7-15(20)16(21)9-12/h5-10,25H,4,11H2,1-3H3,(H,22,23)
InChIKeyUCDBCMRDOUYKDZ-UHFFFAOYSA-N
XLogP3.08
TPSA98.14 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.47
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-(3,4-difluorophenyl)-6-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methylamino]pyridine-3-sulfonamide
CID 133338957
5-bromo-N-[(3-ethyl-5-methoxy-1-methylpyrazol-4-yl)methyl]pyridin-2-amine
CID 133445612
N-(3,4-difluorophenyl)-6-[(2-hydroxy-2-methylpropyl)amino]pyridine-3-sulfonamide
CID 133355153
6-[(3-ethyl-5-methoxy-1-methylpyrazol-4-yl)methylamino]pyridine-3-carbonitrile
CID 133445330
N-(3,4-difluorophenyl)-6-(3-hydroxypropylamino)pyridine-3-sulfonamide
CID 133338926
N-(3,4-difluorophenyl)-6-[(2-hydroxy-2-phenylpropyl)amino]pyridine-3-sulfonamide
CID 133345839
N-(3-bromo-4-fluorophenyl)-6-(ethylamino)pyridine-3-sulfonamide
CID 104781528
N-(3-chloro-4-fluorophenyl)-6-(ethylamino)pyridine-3-sulfonamide
CID 62144412
N-(3,4-difluorophenyl)-6-[[1-(2-hydroxyethyl)cyclopropyl]methylamino]pyridine-3-sulfonamide
CID 133496593
N-(3,4-difluorophenyl)-6-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-ylmethylamino)pyridine-3-sulfonamide
CID 133382878
6-[[2-cyclopropyl-2-(dimethylamino)ethyl]amino]-N-(3,4-difluorophenyl)pyridine-3-sulfonamide
CID 133454088
methyl 6-[(3-ethyl-5-methoxy-1-methylpyrazol-4-yl)methylamino]pyridazine-3-carboxylate
CID 133445681

Frequently Asked Questions

What is the IUPAC name of N-(3,4-difluorophenyl)-6-[(3-ethyl-5-methoxy-1-methylpyrazol-4-yl)methylamino]pyridine-3-sulfonamide?
The IUPAC name of N-(3,4-difluorophenyl)-6-[(3-ethyl-5-methoxy-1-methylpyrazol-4-yl)methylamino]pyridine-3-sulfonamide (CID 133445569) is N-(3,4-difluorophenyl)-6-[(3-ethyl-5-methoxy-1-methylpyrazol-4-yl)methylamino]pyridine-3-sulfonamide.
What is the SMILES notation for N-(3,4-difluorophenyl)-6-[(3-ethyl-5-methoxy-1-methylpyrazol-4-yl)methylamino]pyridine-3-sulfonamide?
The canonical SMILES for N-(3,4-difluorophenyl)-6-[(3-ethyl-5-methoxy-1-methylpyrazol-4-yl)methylamino]pyridine-3-sulfonamide is CCc1nn(C)c(OC)c1CNc1ccc(S(=O)(=O)Nc2ccc(F)c(F)c2)cn1.
What is the InChIKey of N-(3,4-difluorophenyl)-6-[(3-ethyl-5-methoxy-1-methylpyrazol-4-yl)methylamino]pyridine-3-sulfonamide?
The InChIKey is UCDBCMRDOUYKDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21F2N5O3S/c1-4-17-14(19(29-3)26(2)24-17)11-23-18-8-6-13(10-22-18)30(27,28)25-12-5-7-15(20)16(21)9-12/h5-10,25H,4,11H2,1-3H3,(H,22,23).
What are the key properties of N-(3,4-difluorophenyl)-6-[(3-ethyl-5-methoxy-1-methylpyrazol-4-yl)methylamino]pyridine-3-sulfonamide?
N-(3,4-difluorophenyl)-6-[(3-ethyl-5-methoxy-1-methylpyrazol-4-yl)methylamino]pyridine-3-sulfonamide has a molecular weight of 437.47 g/mol, XLogP of 3.08, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-difluorophenyl)-6-[(3-ethyl-5-methoxy-1-methylpyrazol-4-yl)methylamino]pyridine-3-sulfonamide is sourced from PubChem (CID 133445569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).