6-(cyclopropanecarbonylamino)-4-[4-fluoro-2-[methyl(methylsulfanyl)amino]anilino]-N-methoxypyridine-3-carboxamide

C19H22FN5O3S — CID 170281274

IUPAC6-(cyclopropanecarbonylamino)-4-[4-fluoro-2-[methyl(methylsulfanyl)amino]anilino]-N-methoxypyridine-3-carboxamide
SMILESCONC(=O)c1cnc(NC(=O)C2CC2)cc1Nc1ccc(F)cc1N(C)SC
InChIInChI=1S/C19H22FN5O3S/c1-25(29-3)16-8-12(20)6-7-14(16)22-15-9-17(23-18(26)11-4-5-11)21-10-13(15)19(27)24-28-2/h6-11H,4-5H2,1-3H3,(H,24,27)(H2,21,22,23,26)
InChIKeyOIJGWNOLXAKZAG-UHFFFAOYSA-N
MW419.48 g/mol
LogP3.32
Rot. Bonds8

About 6-(cyclopropanecarbonylamino)-4-[4-fluoro-2-[methyl(methylsulfanyl)amino]anilino]-N-methoxypyridine-3-carboxamide

6-(cyclopropanecarbonylamino)-4-[4-fluoro-2-[methyl(methylsulfanyl)amino]anilino]-N-methoxypyridine-3-carboxamide (PubChem CID 170281274) has the molecular formula C19H22FN5O3S and a molecular weight of 419.48 g/mol. Its IUPAC name is 6-(cyclopropanecarbonylamino)-4-[4-fluoro-2-[methyl(methylsulfanyl)amino]anilino]-N-methoxypyridine-3-carboxamide.

Molecular Properties

Compound Name6-(cyclopropanecarbonylamino)-4-[4-fluoro-2-[methyl(methylsulfanyl)amino]anilino]-N-methoxypyridine-3-carboxamide
PubChem CID170281274
Molecular FormulaC19H22FN5O3S
Molecular Weight419.48 g/mol
Exact Mass419.14
IUPAC Name6-(cyclopropanecarbonylamino)-4-[4-fluoro-2-[methyl(methylsulfanyl)amino]anilino]-N-methoxypyridine-3-carboxamide
SMILESCONC(=O)c1cnc(NC(=O)C2CC2)cc1Nc1ccc(F)cc1N(C)SC
InChIInChI=1S/C19H22FN5O3S/c1-25(29-3)16-8-12(20)6-7-14(16)22-15-9-17(23-18(26)11-4-5-11)21-10-13(15)19(27)24-28-2/h6-11H,4-5H2,1-3H3,(H,24,27)(H2,21,22,23,26)
InChIKeyOIJGWNOLXAKZAG-UHFFFAOYSA-N
XLogP3.32
TPSA95.59 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.48
LogP ≤ 53.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'sulphur_nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

6-(cyclopropanecarbonylamino)-N-methoxy-4-[2-[methyl(methylsulfonyl)amino]anilino]pyridine-3-carboxamide
CID 167101479
6-(cyclopropanecarbonylamino)-4-[4-(cyclopropylmethoxy)-2-[methyl(methylsulfonyl)amino]anilino]-N-methoxypyridine-3-carboxamide
CID 167101417
4-[5-chloro-4-cyclopropyl-2-[methyl(methylsulfanyl)amino]anilino]-6-(cyclopropanecarbonylamino)-N-ethoxypyridine-3-carboxamide
CID 170284981
N-methoxy-4-[2-[methyl(methylsulfanyl)amino]anilino]-6-[(6-methyl-2-pyridinyl)amino]pyridine-3-carboxamide
CID 167101481
6-chloro-4-[4-fluoro-2-[methyl(methylsulfonyl)amino]anilino]-N-methoxypyridine-3-carboxamide
CID 163387290
4-[2-cyano-3-(1-methylpyrazol-4-yl)anilino]-6-(cyclopropanecarbonylamino)-N-methoxypyridine-3-carboxamide
CID 167101353
6-(cyclopropanecarbonylamino)-N-methoxy-4-[2-[methyl(methylsulfonyl)amino]-3-(1-methylpyrazol-4-yl)anilino]pyridine-3-carboxamide
CID 167101121
6-(cyclopropanecarbonylamino)-N-methoxy-4-[[2-oxo-1-(1,3-thiazol-2-yl)-3-pyridinyl]amino]pyridine-3-carboxamide
CID 170164285
6-(cyclopropanecarbonylamino)-4-(4-diethylphosphanyl-2-methoxyanilino)pyridine-3-carboxamide
CID 170719834
N-[5-acetyl-4-[3-(5-fluoro-2-pyridinyl)-2-methoxyanilino]-2-pyridinyl]cyclopropanecarboxamide
CID 166492549
4-(3-carbamoyl-2-methoxyanilino)-6-(cyclopropanecarbonylamino)-N-ethylpyridine-3-carboxamide
CID 170281200
6-[(5-cyano-2-pyridinyl)amino]-4-[4-cyclopropyl-2-[methyl(methylsulfonyl)amino]anilino]-N-methoxypyridine-3-carboxamide
CID 163387276

Frequently Asked Questions

What is the IUPAC name of 6-(cyclopropanecarbonylamino)-4-[4-fluoro-2-[methyl(methylsulfanyl)amino]anilino]-N-methoxypyridine-3-carboxamide?
The IUPAC name of 6-(cyclopropanecarbonylamino)-4-[4-fluoro-2-[methyl(methylsulfanyl)amino]anilino]-N-methoxypyridine-3-carboxamide (CID 170281274) is 6-(cyclopropanecarbonylamino)-4-[4-fluoro-2-[methyl(methylsulfanyl)amino]anilino]-N-methoxypyridine-3-carboxamide.
What is the SMILES notation for 6-(cyclopropanecarbonylamino)-4-[4-fluoro-2-[methyl(methylsulfanyl)amino]anilino]-N-methoxypyridine-3-carboxamide?
The canonical SMILES for 6-(cyclopropanecarbonylamino)-4-[4-fluoro-2-[methyl(methylsulfanyl)amino]anilino]-N-methoxypyridine-3-carboxamide is CONC(=O)c1cnc(NC(=O)C2CC2)cc1Nc1ccc(F)cc1N(C)SC.
What is the InChIKey of 6-(cyclopropanecarbonylamino)-4-[4-fluoro-2-[methyl(methylsulfanyl)amino]anilino]-N-methoxypyridine-3-carboxamide?
The InChIKey is OIJGWNOLXAKZAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FN5O3S/c1-25(29-3)16-8-12(20)6-7-14(16)22-15-9-17(23-18(26)11-4-5-11)21-10-13(15)19(27)24-28-2/h6-11H,4-5H2,1-3H3,(H,24,27)(H2,21,22,23,26).
What are the key properties of 6-(cyclopropanecarbonylamino)-4-[4-fluoro-2-[methyl(methylsulfanyl)amino]anilino]-N-methoxypyridine-3-carboxamide?
6-(cyclopropanecarbonylamino)-4-[4-fluoro-2-[methyl(methylsulfanyl)amino]anilino]-N-methoxypyridine-3-carboxamide has a molecular weight of 419.48 g/mol, XLogP of 3.32, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(cyclopropanecarbonylamino)-4-[4-fluoro-2-[methyl(methylsulfanyl)amino]anilino]-N-methoxypyridine-3-carboxamide is sourced from PubChem (CID 170281274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).