2-N-cyclopropyl-5-N-methoxy-4-[2-[methyl(methylsulfonyl)amino]anilino]pyridine-2,5-dicarboxamide

C19H23N5O5S — CID 163387605

IUPAC2-N-cyclopropyl-5-N-methoxy-4-[2-[methyl(methylsulfonyl)amino]anilino]pyridine-2,5-dicarboxamide
SMILESCONC(=O)c1cnc(C(=O)NC2CC2)cc1Nc1ccccc1N(C)S(C)(=O)=O
InChIInChI=1S/C19H23N5O5S/c1-24(30(3,27)28)17-7-5-4-6-14(17)22-15-10-16(19(26)21-12-8-9-12)20-11-13(15)18(25)23-29-2/h4-7,10-12H,8-9H2,1-3H3,(H,20,22)(H,21,26)(H,23,25)
InChIKeyUMEVYMFQPRPPCT-UHFFFAOYSA-N
MW433.49 g/mol
LogP1.40
Rot. Bonds8

About 2-N-cyclopropyl-5-N-methoxy-4-[2-[methyl(methylsulfonyl)amino]anilino]pyridine-2,5-dicarboxamide

2-N-cyclopropyl-5-N-methoxy-4-[2-[methyl(methylsulfonyl)amino]anilino]pyridine-2,5-dicarboxamide (PubChem CID 163387605) has the molecular formula C19H23N5O5S and a molecular weight of 433.49 g/mol. Its IUPAC name is 2-N-cyclopropyl-5-N-methoxy-4-[2-[methyl(methylsulfonyl)amino]anilino]pyridine-2,5-dicarboxamide.

Molecular Properties

Compound Name2-N-cyclopropyl-5-N-methoxy-4-[2-[methyl(methylsulfonyl)amino]anilino]pyridine-2,5-dicarboxamide
PubChem CID163387605
Molecular FormulaC19H23N5O5S
Molecular Weight433.49 g/mol
Exact Mass433.14
IUPAC Name2-N-cyclopropyl-5-N-methoxy-4-[2-[methyl(methylsulfonyl)amino]anilino]pyridine-2,5-dicarboxamide
SMILESCONC(=O)c1cnc(C(=O)NC2CC2)cc1Nc1ccccc1N(C)S(C)(=O)=O
InChIInChI=1S/C19H23N5O5S/c1-24(30(3,27)28)17-7-5-4-6-14(17)22-15-10-16(19(26)21-12-8-9-12)20-11-13(15)18(25)23-29-2/h4-7,10-12H,8-9H2,1-3H3,(H,20,22)(H,21,26)(H,23,25)
InChIKeyUMEVYMFQPRPPCT-UHFFFAOYSA-N
XLogP1.40
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 ≤ 51.40
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)-N-methoxy-4-[2-[methyl(methylsulfonyl)amino]anilino]pyridine-3-carboxamide
CID 167101479
2-N-cyclopropyl-4-[3-[(hydroxyamino)carbamoyl]-2-methoxyanilino]-5-N-methoxypyridine-2,5-dicarboxamide
CID 163387394
4-[5-chloro-4-cyclopropyl-2-[methyl(methylsulfonyl)amino]anilino]-2-N-cyclopropyl-5-N-ethoxypyridine-2,5-dicarboxamide
CID 163387746
6-chloro-4-[4-fluoro-2-[methyl(methylsulfonyl)amino]anilino]-N-methoxypyridine-3-carboxamide
CID 163387290
6-(cyclopropanecarbonylamino)-4-[4-(cyclopropylmethoxy)-2-[methyl(methylsulfonyl)amino]anilino]-N-methoxypyridine-3-carboxamide
CID 167101417
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-[methyl(methylsulfonyl)amino]-3-(1-methylpyrazol-4-yl)anilino]pyridine-3-carboxamide
CID 167101121
N-cyclohexyl-2-[[2-[methyl(methylsulfonyl)amino]benzoyl]amino]benzamide
CID 2956335
N-methoxy-4-[2-[methyl(methylsulfanyl)amino]anilino]-6-[(6-methyl-2-pyridinyl)amino]pyridine-3-carboxamide
CID 167101481
6-(cyclopropanecarbonylamino)-4-[4-fluoro-2-[methyl(methylsulfanyl)amino]anilino]-N-methoxypyridine-3-carboxamide
CID 170281274
ethyl 2-[[6-(cyclopropylcarbamoyl)pyrimidin-4-yl]amino]benzoate
CID 109339404
6-chloro-4-[5-chloro-4-cyclopropyl-2-[methyl(methylsulfonyl)amino]anilino]-N-ethoxypyridine-3-carboxamide
CID 163387406

Frequently Asked Questions

What is the IUPAC name of 2-N-cyclopropyl-5-N-methoxy-4-[2-[methyl(methylsulfonyl)amino]anilino]pyridine-2,5-dicarboxamide?
The IUPAC name of 2-N-cyclopropyl-5-N-methoxy-4-[2-[methyl(methylsulfonyl)amino]anilino]pyridine-2,5-dicarboxamide (CID 163387605) is 2-N-cyclopropyl-5-N-methoxy-4-[2-[methyl(methylsulfonyl)amino]anilino]pyridine-2,5-dicarboxamide.
What is the SMILES notation for 2-N-cyclopropyl-5-N-methoxy-4-[2-[methyl(methylsulfonyl)amino]anilino]pyridine-2,5-dicarboxamide?
The canonical SMILES for 2-N-cyclopropyl-5-N-methoxy-4-[2-[methyl(methylsulfonyl)amino]anilino]pyridine-2,5-dicarboxamide is CONC(=O)c1cnc(C(=O)NC2CC2)cc1Nc1ccccc1N(C)S(C)(=O)=O.
What is the InChIKey of 2-N-cyclopropyl-5-N-methoxy-4-[2-[methyl(methylsulfonyl)amino]anilino]pyridine-2,5-dicarboxamide?
The InChIKey is UMEVYMFQPRPPCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O5S/c1-24(30(3,27)28)17-7-5-4-6-14(17)22-15-10-16(19(26)21-12-8-9-12)20-11-13(15)18(25)23-29-2/h4-7,10-12H,8-9H2,1-3H3,(H,20,22)(H,21,26)(H,23,25).
What are the key properties of 2-N-cyclopropyl-5-N-methoxy-4-[2-[methyl(methylsulfonyl)amino]anilino]pyridine-2,5-dicarboxamide?
2-N-cyclopropyl-5-N-methoxy-4-[2-[methyl(methylsulfonyl)amino]anilino]pyridine-2,5-dicarboxamide has a molecular weight of 433.49 g/mol, XLogP of 1.40, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-cyclopropyl-5-N-methoxy-4-[2-[methyl(methylsulfonyl)amino]anilino]pyridine-2,5-dicarboxamide is sourced from PubChem (CID 163387605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).