6-chloro-4-[5-chloro-4-cyclopropyl-2-[methyl(methylsulfonyl)amino]anilino]-N-ethoxypyridine-3-carboxamide

C19H22Cl2N4O4S — CID 163387406

IUPAC6-chloro-4-[5-chloro-4-cyclopropyl-2-[methyl(methylsulfonyl)amino]anilino]-N-ethoxypyridine-3-carboxamide
SMILESCCONC(=O)c1cnc(Cl)cc1Nc1cc(Cl)c(C2CC2)cc1N(C)S(C)(=O)=O
InChIInChI=1S/C19H22Cl2N4O4S/c1-4-29-24-19(26)13-10-22-18(21)9-15(13)23-16-8-14(20)12(11-5-6-11)7-17(16)25(2)30(3,27)28/h7-11H,4-6H2,1-3H3,(H,22,23)(H,24,26)
InChIKeyONMLYEONECXXQJ-UHFFFAOYSA-N
MW473.38 g/mol
LogP4.09
Rot. Bonds8

About 6-chloro-4-[5-chloro-4-cyclopropyl-2-[methyl(methylsulfonyl)amino]anilino]-N-ethoxypyridine-3-carboxamide

6-chloro-4-[5-chloro-4-cyclopropyl-2-[methyl(methylsulfonyl)amino]anilino]-N-ethoxypyridine-3-carboxamide (PubChem CID 163387406) has the molecular formula C19H22Cl2N4O4S and a molecular weight of 473.38 g/mol. Its IUPAC name is 6-chloro-4-[5-chloro-4-cyclopropyl-2-[methyl(methylsulfonyl)amino]anilino]-N-ethoxypyridine-3-carboxamide.

Molecular Properties

Compound Name6-chloro-4-[5-chloro-4-cyclopropyl-2-[methyl(methylsulfonyl)amino]anilino]-N-ethoxypyridine-3-carboxamide
PubChem CID163387406
Molecular FormulaC19H22Cl2N4O4S
Molecular Weight473.38 g/mol
Exact Mass472.07
IUPAC Name6-chloro-4-[5-chloro-4-cyclopropyl-2-[methyl(methylsulfonyl)amino]anilino]-N-ethoxypyridine-3-carboxamide
SMILESCCONC(=O)c1cnc(Cl)cc1Nc1cc(Cl)c(C2CC2)cc1N(C)S(C)(=O)=O
InChIInChI=1S/C19H22Cl2N4O4S/c1-4-29-24-19(26)13-10-22-18(21)9-15(13)23-16-8-14(20)12(11-5-6-11)7-17(16)25(2)30(3,27)28/h7-11H,4-6H2,1-3H3,(H,22,23)(H,24,26)
InChIKeyONMLYEONECXXQJ-UHFFFAOYSA-N
XLogP4.09
TPSA100.63 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.38
LogP ≤ 54.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-[5-chloro-4-cyclopropyl-2-[methyl(methylsulfonyl)amino]anilino]-2-N-cyclopropyl-5-N-ethoxypyridine-2,5-dicarboxamide
CID 163387746
6-chloro-N-ethoxy-4-[5-fluoro-4-methyl-2-[methyl(methylsulfonyl)amino]anilino]pyridine-3-carboxamide
CID 167101251
6-chloro-4-[4-cyclopropyl-2-[ethylsulfonyl(methyl)amino]anilino]-N-ethoxypyridine-3-carboxamide
CID 163387608
6-chloro-N-ethoxy-4-[2-[methyl(methylsulfonyl)amino]-4-propan-2-ylanilino]pyridine-3-carboxamide
CID 167101548
4-[5-chloro-4-cyclopropyl-2-[methyl(methylsulfanyl)amino]anilino]-6-(cyclopropanecarbonylamino)-N-ethoxypyridine-3-carboxamide
CID 170284981
4-[4-cyclopropyl-5-fluoro-2-[methyl(methylsulfonyl)amino]anilino]-6-[(3,3-difluoroazetidine-1-carbonyl)amino]-N-ethoxypyridine-3-carboxamide
CID 167101512
6-chloro-N-ethoxy-4-[2-[methyl(methylsulfonyl)amino]-4-morpholin-4-ylanilino]pyridine-3-carboxamide
CID 167101467
2-[4-cyclopropyl-5-fluoro-2-[methyl(methylsulfonyl)amino]anilino]-6-[(3,5-difluoro-2-pyridinyl)amino]-N-ethoxypyridine-3-carboxamide
CID 175755712
4-[4-chloro-2-[methyl(methylsulfonyl)amino]anilino]-N-ethoxy-6-(pyridazin-3-ylamino)pyridine-3-carboxamide
CID 163387368
4-[4-cyclopropyl-2-[methyl(methylsulfonyl)amino]anilino]-N-ethoxy-6-[(6-methyl-3-pyridinyl)amino]pyridine-3-carboxamide
CID 163387672
4-[4-cyclopropyl-2-[methyl(methylsulfonyl)amino]anilino]-N-ethoxy-6-[(6-fluoro-3-pyridinyl)amino]pyridine-3-carboxamide
CID 163387509
6-chloro-4-[4-fluoro-2-[methyl(methylsulfonyl)amino]anilino]-N-methoxypyridine-3-carboxamide
CID 163387290

Frequently Asked Questions

What is the IUPAC name of 6-chloro-4-[5-chloro-4-cyclopropyl-2-[methyl(methylsulfonyl)amino]anilino]-N-ethoxypyridine-3-carboxamide?
The IUPAC name of 6-chloro-4-[5-chloro-4-cyclopropyl-2-[methyl(methylsulfonyl)amino]anilino]-N-ethoxypyridine-3-carboxamide (CID 163387406) is 6-chloro-4-[5-chloro-4-cyclopropyl-2-[methyl(methylsulfonyl)amino]anilino]-N-ethoxypyridine-3-carboxamide.
What is the SMILES notation for 6-chloro-4-[5-chloro-4-cyclopropyl-2-[methyl(methylsulfonyl)amino]anilino]-N-ethoxypyridine-3-carboxamide?
The canonical SMILES for 6-chloro-4-[5-chloro-4-cyclopropyl-2-[methyl(methylsulfonyl)amino]anilino]-N-ethoxypyridine-3-carboxamide is CCONC(=O)c1cnc(Cl)cc1Nc1cc(Cl)c(C2CC2)cc1N(C)S(C)(=O)=O.
What is the InChIKey of 6-chloro-4-[5-chloro-4-cyclopropyl-2-[methyl(methylsulfonyl)amino]anilino]-N-ethoxypyridine-3-carboxamide?
The InChIKey is ONMLYEONECXXQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22Cl2N4O4S/c1-4-29-24-19(26)13-10-22-18(21)9-15(13)23-16-8-14(20)12(11-5-6-11)7-17(16)25(2)30(3,27)28/h7-11H,4-6H2,1-3H3,(H,22,23)(H,24,26).
What are the key properties of 6-chloro-4-[5-chloro-4-cyclopropyl-2-[methyl(methylsulfonyl)amino]anilino]-N-ethoxypyridine-3-carboxamide?
6-chloro-4-[5-chloro-4-cyclopropyl-2-[methyl(methylsulfonyl)amino]anilino]-N-ethoxypyridine-3-carboxamide has a molecular weight of 473.38 g/mol, XLogP of 4.09, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-4-[5-chloro-4-cyclopropyl-2-[methyl(methylsulfonyl)amino]anilino]-N-ethoxypyridine-3-carboxamide is sourced from PubChem (CID 163387406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).