6-(cyclopropanecarbonylamino)-N-methoxy-4-[2-[methyl(methylsulfonyl)amino]anilino]pyridine-3-carboxamide

C19H23N5O5S — CID 167101479

IUPAC6-(cyclopropanecarbonylamino)-N-methoxy-4-[2-[methyl(methylsulfonyl)amino]anilino]pyridine-3-carboxamide
SMILESCONC(=O)c1cnc(NC(=O)C2CC2)cc1Nc1ccccc1N(C)S(C)(=O)=O
InChIInChI=1S/C19H23N5O5S/c1-24(30(3,27)28)16-7-5-4-6-14(16)21-15-10-17(22-18(25)12-8-9-12)20-11-13(15)19(26)23-29-2/h4-7,10-12H,8-9H2,1-3H3,(H,23,26)(H2,20,21,22,25)
InChIKeyXOXNHJSMZGCUAR-UHFFFAOYSA-N
MW433.49 g/mol
LogP1.86
Rot. Bonds8

About 6-(cyclopropanecarbonylamino)-N-methoxy-4-[2-[methyl(methylsulfonyl)amino]anilino]pyridine-3-carboxamide

6-(cyclopropanecarbonylamino)-N-methoxy-4-[2-[methyl(methylsulfonyl)amino]anilino]pyridine-3-carboxamide (PubChem CID 167101479) has the molecular formula C19H23N5O5S and a molecular weight of 433.49 g/mol. Its IUPAC name is 6-(cyclopropanecarbonylamino)-N-methoxy-4-[2-[methyl(methylsulfonyl)amino]anilino]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-(cyclopropanecarbonylamino)-N-methoxy-4-[2-[methyl(methylsulfonyl)amino]anilino]pyridine-3-carboxamide
PubChem CID167101479
Molecular FormulaC19H23N5O5S
Molecular Weight433.49 g/mol
Exact Mass433.14
IUPAC Name6-(cyclopropanecarbonylamino)-N-methoxy-4-[2-[methyl(methylsulfonyl)amino]anilino]pyridine-3-carboxamide
SMILESCONC(=O)c1cnc(NC(=O)C2CC2)cc1Nc1ccccc1N(C)S(C)(=O)=O
InChIInChI=1S/C19H23N5O5S/c1-24(30(3,27)28)16-7-5-4-6-14(16)21-15-10-17(22-18(25)12-8-9-12)20-11-13(15)19(26)23-29-2/h4-7,10-12H,8-9H2,1-3H3,(H,23,26)(H2,20,21,22,25)
InChIKeyXOXNHJSMZGCUAR-UHFFFAOYSA-N
XLogP1.86
TPSA129.73 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.49
LogP ≤ 51.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

6-(cyclopropanecarbonylamino)-4-[4-(cyclopropylmethoxy)-2-[methyl(methylsulfonyl)amino]anilino]-N-methoxypyridine-3-carboxamide
CID 167101417
2-N-cyclopropyl-5-N-methoxy-4-[2-[methyl(methylsulfonyl)amino]anilino]pyridine-2,5-dicarboxamide
CID 163387605
6-(cyclopropanecarbonylamino)-N-methoxy-4-[2-[methyl(methylsulfonyl)amino]-3-(1-methylpyrazol-4-yl)anilino]pyridine-3-carboxamide
CID 167101121
6-(cyclopropanecarbonylamino)-4-[4-fluoro-2-[methyl(methylsulfanyl)amino]anilino]-N-methoxypyridine-3-carboxamide
CID 170281274
6-[(5-cyano-2-pyridinyl)amino]-4-[4-cyclopropyl-2-[methyl(methylsulfonyl)amino]anilino]-N-methoxypyridine-3-carboxamide
CID 163387276
6-(cyclopropanecarbonylamino)-N-methoxy-4-[[2-oxo-1-(1,3-thiazol-2-yl)-3-pyridinyl]amino]pyridine-3-carboxamide
CID 170164285
6-chloro-4-[4-fluoro-2-[methyl(methylsulfonyl)amino]anilino]-N-methoxypyridine-3-carboxamide
CID 163387290
N-[2-(difluoromethyl)-7-[2-[methyl(methylsulfonyl)amino]anilino]-1H-imidazo[4,5-b]pyridin-5-yl]cyclopropanecarboxamide
CID 134512758
4-[2-cyano-3-(1-methylpyrazol-4-yl)anilino]-6-(cyclopropanecarbonylamino)-N-methoxypyridine-3-carboxamide
CID 167101353
N-methoxy-4-[2-[methyl(methylsulfanyl)amino]anilino]-6-[(6-methyl-2-pyridinyl)amino]pyridine-3-carboxamide
CID 167101481
4-[4-cyclopropyl-2-[methyl(methylsulfonyl)amino]anilino]-N-ethoxy-6-[(6-methyl-3-pyridinyl)amino]pyridine-3-carboxamide
CID 163387672
4-(3-carbamoyl-2-methoxyanilino)-6-(cyclopropanecarbonylamino)-N-ethylpyridine-3-carboxamide
CID 170281200

Frequently Asked Questions

What is the IUPAC name of 6-(cyclopropanecarbonylamino)-N-methoxy-4-[2-[methyl(methylsulfonyl)amino]anilino]pyridine-3-carboxamide?
The IUPAC name of 6-(cyclopropanecarbonylamino)-N-methoxy-4-[2-[methyl(methylsulfonyl)amino]anilino]pyridine-3-carboxamide (CID 167101479) is 6-(cyclopropanecarbonylamino)-N-methoxy-4-[2-[methyl(methylsulfonyl)amino]anilino]pyridine-3-carboxamide.
What is the SMILES notation for 6-(cyclopropanecarbonylamino)-N-methoxy-4-[2-[methyl(methylsulfonyl)amino]anilino]pyridine-3-carboxamide?
The canonical SMILES for 6-(cyclopropanecarbonylamino)-N-methoxy-4-[2-[methyl(methylsulfonyl)amino]anilino]pyridine-3-carboxamide is CONC(=O)c1cnc(NC(=O)C2CC2)cc1Nc1ccccc1N(C)S(C)(=O)=O.
What is the InChIKey of 6-(cyclopropanecarbonylamino)-N-methoxy-4-[2-[methyl(methylsulfonyl)amino]anilino]pyridine-3-carboxamide?
The InChIKey is XOXNHJSMZGCUAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O5S/c1-24(30(3,27)28)16-7-5-4-6-14(16)21-15-10-17(22-18(25)12-8-9-12)20-11-13(15)19(26)23-29-2/h4-7,10-12H,8-9H2,1-3H3,(H,23,26)(H2,20,21,22,25).
What are the key properties of 6-(cyclopropanecarbonylamino)-N-methoxy-4-[2-[methyl(methylsulfonyl)amino]anilino]pyridine-3-carboxamide?
6-(cyclopropanecarbonylamino)-N-methoxy-4-[2-[methyl(methylsulfonyl)amino]anilino]pyridine-3-carboxamide has a molecular weight of 433.49 g/mol, XLogP of 1.86, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(cyclopropanecarbonylamino)-N-methoxy-4-[2-[methyl(methylsulfonyl)amino]anilino]pyridine-3-carboxamide is sourced from PubChem (CID 167101479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).