6-chloro-N-ethoxy-4-[2-[methyl(methylsulfonyl)amino]-4-propan-2-ylanilino]pyridine-3-carboxamide

C19H25ClN4O4S — CID 167101548

IUPAC6-chloro-N-ethoxy-4-[2-[methyl(methylsulfonyl)amino]-4-propan-2-ylanilino]pyridine-3-carboxamide
SMILESCCONC(=O)c1cnc(Cl)cc1Nc1ccc(C(C)C)cc1N(C)S(C)(=O)=O
InChIInChI=1S/C19H25ClN4O4S/c1-6-28-23-19(25)14-11-21-18(20)10-16(14)22-15-8-7-13(12(2)3)9-17(15)24(4)29(5,26)27/h7-12H,6H2,1-5H3,(H,21,22)(H,23,25)
InChIKeyNERJMDOTTJMJBI-UHFFFAOYSA-N
MW440.95 g/mol
LogP3.68
Rot. Bonds8

About 6-chloro-N-ethoxy-4-[2-[methyl(methylsulfonyl)amino]-4-propan-2-ylanilino]pyridine-3-carboxamide

6-chloro-N-ethoxy-4-[2-[methyl(methylsulfonyl)amino]-4-propan-2-ylanilino]pyridine-3-carboxamide (PubChem CID 167101548) has the molecular formula C19H25ClN4O4S and a molecular weight of 440.95 g/mol. Its IUPAC name is 6-chloro-N-ethoxy-4-[2-[methyl(methylsulfonyl)amino]-4-propan-2-ylanilino]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-chloro-N-ethoxy-4-[2-[methyl(methylsulfonyl)amino]-4-propan-2-ylanilino]pyridine-3-carboxamide
PubChem CID167101548
Molecular FormulaC19H25ClN4O4S
Molecular Weight440.95 g/mol
Exact Mass440.13
IUPAC Name6-chloro-N-ethoxy-4-[2-[methyl(methylsulfonyl)amino]-4-propan-2-ylanilino]pyridine-3-carboxamide
SMILESCCONC(=O)c1cnc(Cl)cc1Nc1ccc(C(C)C)cc1N(C)S(C)(=O)=O
InChIInChI=1S/C19H25ClN4O4S/c1-6-28-23-19(25)14-11-21-18(20)10-16(14)22-15-8-7-13(12(2)3)9-17(15)24(4)29(5,26)27/h7-12H,6H2,1-5H3,(H,21,22)(H,23,25)
InChIKeyNERJMDOTTJMJBI-UHFFFAOYSA-N
XLogP3.68
TPSA100.63 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.95
LogP ≤ 53.68
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

N-ethoxy-6-[(2-methoxypyrimidin-4-yl)amino]-4-[2-[methyl(methylsulfonyl)amino]-4-propan-2-ylanilino]pyridine-3-carboxamide
CID 170281736
6-chloro-N-ethoxy-4-[5-fluoro-4-methyl-2-[methyl(methylsulfonyl)amino]anilino]pyridine-3-carboxamide
CID 167101251
6-chloro-N-ethoxy-4-[2-[methyl(methylsulfonyl)amino]-4-morpholin-4-ylanilino]pyridine-3-carboxamide
CID 167101467
6-chloro-4-[5-chloro-4-cyclopropyl-2-[methyl(methylsulfonyl)amino]anilino]-N-ethoxypyridine-3-carboxamide
CID 163387406
6-chloro-4-[4-cyclopropyl-2-[ethylsulfonyl(methyl)amino]anilino]-N-ethoxypyridine-3-carboxamide
CID 163387608
6-chloro-4-[4-fluoro-2-[methyl(methylsulfonyl)amino]anilino]-N-methoxypyridine-3-carboxamide
CID 163387290
4-[4-chloro-2-[methyl(methylsulfonyl)amino]anilino]-N-ethoxy-6-(pyridazin-3-ylamino)pyridine-3-carboxamide
CID 163387368
N-ethoxy-4-[5-fluoro-2-[methyl(methylsulfonyl)amino]-4-propan-2-ylanilino]-6-[(6-fluoro-2-methyl-3-pyridinyl)amino]pyridine-3-carboxamide
CID 163387624
6-[(3,5-difluoro-2-pyridinyl)amino]-N-ethoxy-4-[5-fluoro-2-[methyl(methylsulfonyl)amino]-4-propan-2-ylanilino]pyridine-3-carboxamide
CID 163387748
N-ethoxy-4-[4-ethynyl-2-[methyl(methylsulfonyl)amino]anilino]-6-[(5-fluoro-2-pyridinyl)amino]pyridine-3-carboxamide
CID 167101509
4-[4-cyclopropyl-2-[methyl(methylsulfonyl)amino]anilino]-N-ethoxy-6-[(6-fluoro-3-pyridinyl)amino]pyridine-3-carboxamide
CID 163387509
4-[5-chloro-4-cyclopropyl-2-[methyl(methylsulfonyl)amino]anilino]-2-N-cyclopropyl-5-N-ethoxypyridine-2,5-dicarboxamide
CID 163387746

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-ethoxy-4-[2-[methyl(methylsulfonyl)amino]-4-propan-2-ylanilino]pyridine-3-carboxamide?
The IUPAC name of 6-chloro-N-ethoxy-4-[2-[methyl(methylsulfonyl)amino]-4-propan-2-ylanilino]pyridine-3-carboxamide (CID 167101548) is 6-chloro-N-ethoxy-4-[2-[methyl(methylsulfonyl)amino]-4-propan-2-ylanilino]pyridine-3-carboxamide.
What is the SMILES notation for 6-chloro-N-ethoxy-4-[2-[methyl(methylsulfonyl)amino]-4-propan-2-ylanilino]pyridine-3-carboxamide?
The canonical SMILES for 6-chloro-N-ethoxy-4-[2-[methyl(methylsulfonyl)amino]-4-propan-2-ylanilino]pyridine-3-carboxamide is CCONC(=O)c1cnc(Cl)cc1Nc1ccc(C(C)C)cc1N(C)S(C)(=O)=O.
What is the InChIKey of 6-chloro-N-ethoxy-4-[2-[methyl(methylsulfonyl)amino]-4-propan-2-ylanilino]pyridine-3-carboxamide?
The InChIKey is NERJMDOTTJMJBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25ClN4O4S/c1-6-28-23-19(25)14-11-21-18(20)10-16(14)22-15-8-7-13(12(2)3)9-17(15)24(4)29(5,26)27/h7-12H,6H2,1-5H3,(H,21,22)(H,23,25).
What are the key properties of 6-chloro-N-ethoxy-4-[2-[methyl(methylsulfonyl)amino]-4-propan-2-ylanilino]pyridine-3-carboxamide?
6-chloro-N-ethoxy-4-[2-[methyl(methylsulfonyl)amino]-4-propan-2-ylanilino]pyridine-3-carboxamide has a molecular weight of 440.95 g/mol, XLogP of 3.68, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-ethoxy-4-[2-[methyl(methylsulfonyl)amino]-4-propan-2-ylanilino]pyridine-3-carboxamide is sourced from PubChem (CID 167101548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).