N-[(6-amino-2-pyridinyl)sulfonyl]-2-(2-cyclopropylethylamino)-6-[3-fluoro-5-(2-methylpropoxy)phenyl]pyridine-3-carboxamide

C26H30FN5O4S — CID 130203182

IUPACN-[(6-amino-2-pyridinyl)sulfonyl]-2-(2-cyclopropylethylamino)-6-[3-fluoro-5-(2-methylpropoxy)phenyl]pyridine-3-carboxamide
SMILESCC(C)COc1cc(F)cc(-c2ccc(C(=O)NS(=O)(=O)c3cccc(N)n3)c(NCCC3CC3)n2)c1
InChIInChI=1S/C26H30FN5O4S/c1-16(2)15-36-20-13-18(12-19(27)14-20)22-9-8-21(25(30-22)29-11-10-17-6-7-17)26(33)32-37(34,35)24-5-3-4-23(28)31-24/h3-5,8-9,12-14,16-17H,6-7,10-11,15H2,1-2H3,(H2,28,31)(H,29,30)(H,32,33)
InChIKeySHMASWBKNIPSSY-UHFFFAOYSA-N
MW527.62 g/mol
LogP4.23
Rot. Bonds11

About N-[(6-amino-2-pyridinyl)sulfonyl]-2-(2-cyclopropylethylamino)-6-[3-fluoro-5-(2-methylpropoxy)phenyl]pyridine-3-carboxamide

N-[(6-amino-2-pyridinyl)sulfonyl]-2-(2-cyclopropylethylamino)-6-[3-fluoro-5-(2-methylpropoxy)phenyl]pyridine-3-carboxamide (PubChem CID 130203182) has the molecular formula C26H30FN5O4S and a molecular weight of 527.62 g/mol. Its IUPAC name is N-[(6-amino-2-pyridinyl)sulfonyl]-2-(2-cyclopropylethylamino)-6-[3-fluoro-5-(2-methylpropoxy)phenyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(6-amino-2-pyridinyl)sulfonyl]-2-(2-cyclopropylethylamino)-6-[3-fluoro-5-(2-methylpropoxy)phenyl]pyridine-3-carboxamide
PubChem CID130203182
Molecular FormulaC26H30FN5O4S
Molecular Weight527.62 g/mol
Exact Mass527.20
IUPAC NameN-[(6-amino-2-pyridinyl)sulfonyl]-2-(2-cyclopropylethylamino)-6-[3-fluoro-5-(2-methylpropoxy)phenyl]pyridine-3-carboxamide
SMILESCC(C)COc1cc(F)cc(-c2ccc(C(=O)NS(=O)(=O)c3cccc(N)n3)c(NCCC3CC3)n2)c1
InChIInChI=1S/C26H30FN5O4S/c1-16(2)15-36-20-13-18(12-19(27)14-20)22-9-8-21(25(30-22)29-11-10-17-6-7-17)26(33)32-37(34,35)24-5-3-4-23(28)31-24/h3-5,8-9,12-14,16-17H,6-7,10-11,15H2,1-2H3,(H2,28,31)(H,29,30)(H,32,33)
InChIKeySHMASWBKNIPSSY-UHFFFAOYSA-N
XLogP4.23
TPSA136.30 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds11
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500527.62
LogP ≤ 54.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Related Compounds

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Olacaftor
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Preparation of (14S)-8-[3-fluoro-5-(2-methylpropoxy)phenyl]-12,12-dimethyl-2lambda6-thia-3,9,11,18,23-pentaazatetracyclo[17.3.1.111,14.05,10]tetracosa-1(22),5,7,9,19(23),20-hexaene-2,2,4-trione
CID 139399907
Preparation of (14S)-8-(3,4-dihydro-2H-pyran-6-yl)-12,12-dimethyl-2lambda6-thia-3,9,11,18,23-pentaazatetracyclo[17.3.1.111,14.05,10]tetracosa-1(22),5,7,9,19(23),20-hexaene-2,2,4-trione
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2-amino-1-ethyl-7-[3-fluoro-4-[(3-methoxyphenyl)sulfonylamino]phenyl]-N-methyl-4-oxo-1,8-naphthyridine-3-carboxamide
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CID 58093942
4-[1-(3-fluoro-4-morpholin-4-ylanilino)-8-oxo-7H-2,7-naphthyridin-3-yl]-2-methoxy-N-methylbenzenesulfonamide
CID 58094252
N-[6-(3,5-dimethylpiperazin-1-yl)-2-pyridinyl]-3-fluoro-4-(5-methylfuran-2-yl)benzenesulfonamide
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2-(4-Fluoro-3-methoxyphenyl)-6-piperazin-1-ylpyridine-3-carboxamide
CID 117977359
N-[(6-amino-2-pyridinyl)sulfonyl]-6-[3-fluoro-5-(2-methylpropoxy)phenyl]-2-(2-methylazetidin-1-yl)pyridine-3-carboxamide
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6-[3-fluoro-5-(2-methylpropoxy)phenyl]-N-[(3S)-3-fluoropyrrolidin-1-yl]sulfonyl-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide
CID 121250416
N-(6-aminopyridin-2-yl)sulfonyl-6-[3-fluoro-5-(2-methylpropoxy)phenyl]-2-[2-methyl-5-(trifluoromethyl)piperidin-1-yl]pyridine-3-carboxamide
CID 121250426

Frequently Asked Questions

What is the IUPAC name of N-[(6-amino-2-pyridinyl)sulfonyl]-2-(2-cyclopropylethylamino)-6-[3-fluoro-5-(2-methylpropoxy)phenyl]pyridine-3-carboxamide?
The IUPAC name of N-[(6-amino-2-pyridinyl)sulfonyl]-2-(2-cyclopropylethylamino)-6-[3-fluoro-5-(2-methylpropoxy)phenyl]pyridine-3-carboxamide (CID 130203182) is N-[(6-amino-2-pyridinyl)sulfonyl]-2-(2-cyclopropylethylamino)-6-[3-fluoro-5-(2-methylpropoxy)phenyl]pyridine-3-carboxamide.
What is the SMILES notation for N-[(6-amino-2-pyridinyl)sulfonyl]-2-(2-cyclopropylethylamino)-6-[3-fluoro-5-(2-methylpropoxy)phenyl]pyridine-3-carboxamide?
The canonical SMILES for N-[(6-amino-2-pyridinyl)sulfonyl]-2-(2-cyclopropylethylamino)-6-[3-fluoro-5-(2-methylpropoxy)phenyl]pyridine-3-carboxamide is CC(C)COc1cc(F)cc(-c2ccc(C(=O)NS(=O)(=O)c3cccc(N)n3)c(NCCC3CC3)n2)c1.
What is the InChIKey of N-[(6-amino-2-pyridinyl)sulfonyl]-2-(2-cyclopropylethylamino)-6-[3-fluoro-5-(2-methylpropoxy)phenyl]pyridine-3-carboxamide?
The InChIKey is SHMASWBKNIPSSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30FN5O4S/c1-16(2)15-36-20-13-18(12-19(27)14-20)22-9-8-21(25(30-22)29-11-10-17-6-7-17)26(33)32-37(34,35)24-5-3-4-23(28)31-24/h3-5,8-9,12-14,16-17H,6-7,10-11,15H2,1-2H3,(H2,28,31)(H,29,30)(H,32,33).
What are the key properties of N-[(6-amino-2-pyridinyl)sulfonyl]-2-(2-cyclopropylethylamino)-6-[3-fluoro-5-(2-methylpropoxy)phenyl]pyridine-3-carboxamide?
N-[(6-amino-2-pyridinyl)sulfonyl]-2-(2-cyclopropylethylamino)-6-[3-fluoro-5-(2-methylpropoxy)phenyl]pyridine-3-carboxamide has a molecular weight of 527.62 g/mol, XLogP of 4.23, 11 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-amino-2-pyridinyl)sulfonyl]-2-(2-cyclopropylethylamino)-6-[3-fluoro-5-(2-methylpropoxy)phenyl]pyridine-3-carboxamide is sourced from PubChem (CID 130203182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).