6-chloro-3-[[(1R)-1-(2-cyclopropyl-3,6-dimethyl-4-oxochromen-8-yl)ethyl]amino]-N-methylsulfonylpyridine-2-carboxamide

C23H24ClN3O5S — CID 169270223

IUPAC6-chloro-3-[[(1R)-1-(2-cyclopropyl-3,6-dimethyl-4-oxochromen-8-yl)ethyl]amino]-N-methylsulfonylpyridine-2-carboxamide
SMILESCc1cc([C@@H](C)Nc2ccc(Cl)nc2C(=O)NS(C)(=O)=O)c2oc(C3CC3)c(C)c(=O)c2c1
InChIInChI=1S/C23H24ClN3O5S/c1-11-9-15(22-16(10-11)20(28)12(2)21(32-22)14-5-6-14)13(3)25-17-7-8-18(24)26-19(17)23(29)27-33(4,30)31/h7-10,13-14,25H,5-6H2,1-4H3,(H,27,29)/t13-/m1/s1
InChIKeyIZOAKZCSOCOXLF-CYBMUJFWSA-N
MW489.98 g/mol
LogP4.20
Rot. Bonds6

About 6-chloro-3-[[(1R)-1-(2-cyclopropyl-3,6-dimethyl-4-oxochromen-8-yl)ethyl]amino]-N-methylsulfonylpyridine-2-carboxamide

6-chloro-3-[[(1R)-1-(2-cyclopropyl-3,6-dimethyl-4-oxochromen-8-yl)ethyl]amino]-N-methylsulfonylpyridine-2-carboxamide (PubChem CID 169270223) has the molecular formula C23H24ClN3O5S and a molecular weight of 489.98 g/mol. Its IUPAC name is 6-chloro-3-[[(1R)-1-(2-cyclopropyl-3,6-dimethyl-4-oxochromen-8-yl)ethyl]amino]-N-methylsulfonylpyridine-2-carboxamide.

Molecular Properties

Compound Name6-chloro-3-[[(1R)-1-(2-cyclopropyl-3,6-dimethyl-4-oxochromen-8-yl)ethyl]amino]-N-methylsulfonylpyridine-2-carboxamide
PubChem CID169270223
Molecular FormulaC23H24ClN3O5S
Molecular Weight489.98 g/mol
Exact Mass489.11
IUPAC Name6-chloro-3-[[(1R)-1-(2-cyclopropyl-3,6-dimethyl-4-oxochromen-8-yl)ethyl]amino]-N-methylsulfonylpyridine-2-carboxamide
SMILESCc1cc([C@@H](C)Nc2ccc(Cl)nc2C(=O)NS(C)(=O)=O)c2oc(C3CC3)c(C)c(=O)c2c1
InChIInChI=1S/C23H24ClN3O5S/c1-11-9-15(22-16(10-11)20(28)12(2)21(32-22)14-5-6-14)13(3)25-17-7-8-18(24)26-19(17)23(29)27-33(4,30)31/h7-10,13-14,25H,5-6H2,1-4H3,(H,27,29)/t13-/m1/s1
InChIKeyIZOAKZCSOCOXLF-CYBMUJFWSA-N
XLogP4.20
TPSA118.37 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.98
LogP ≤ 54.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

6-chloro-3-[[(1R)-1-[2-(4,4-difluorocyclohexyl)-3,6-dimethyl-4-oxochromen-8-yl]ethyl]amino]-N-methylsulfonylpyridine-2-carboxamide
CID 169269744
6-chloro-3-[[(1R)-1-(2-cyclopropyl-3,6-dimethyl-4-oxochromen-8-yl)ethyl]amino]-N-methylsulfanylpyridine-2-carboxamide
CID 169270813
6-chloro-3-[1-(3,6-dimethyl-4-oxo-2-phenylchromen-8-yl)ethylamino]-N-methylsulfonylpyridine-2-carboxamide
CID 169269012
6-chloro-3-[1-[2-(2,6-difluorophenyl)-3,6-dimethyl-4-oxochromen-8-yl]ethylamino]-N-methylsulfonylpyridine-2-carboxamide
CID 174204491
tert-butyl 6-chloro-3-[[(1R)-1-(2-cyclobutyl-3,6-dimethyl-4-oxochromen-8-yl)ethyl]amino]pyridine-2-carboxylate
CID 169268883
6-chloro-3-[1-[3,6-dimethyl-2-(1-methylpyrazol-4-yl)-4-oxochromen-8-yl]ethylamino]-N-methylsulfonylpyridine-2-carboxamide
CID 170414116
3-[[(1R)-1-[2-(3-tert-butylphenyl)-3,6-dimethyl-4-oxochromen-8-yl]ethyl]amino]-6-chloro-N-methylsulfonylpyridine-2-carboxamide
CID 174170791
6-chloro-3-[[(1R)-1-[3,6-dimethyl-2-(1-methyltriazol-4-yl)-4-oxochromen-8-yl]ethyl]amino]-N-methylsulfonylpyridine-2-carboxamide
CID 169269622
6-chloro-3-[[(1R)-1-[2-(2-cyanophenyl)-3,6-dimethyl-4-oxochromen-8-yl]ethyl]amino]-N-methylsulfonylpyridine-2-carboxamide
CID 169269715
6-chloro-3-[[(1R)-1-[3,6-dimethyl-2-(1-methylindol-5-yl)-4-oxochromen-8-yl]ethyl]amino]-N-methylsulfonylpyridine-2-carboxamide
CID 174170794
6-chloro-3-[1-(3-cyano-6-methyl-4-oxo-2-phenylchromen-8-yl)ethylamino]-N-methylsulfonylpyridine-2-carboxamide
CID 169268780
6-chloro-3-[[(1R)-1-[3,6-dimethyl-4-oxo-2-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-3-yl)chromen-8-yl]ethyl]amino]-N-methylsulfonylpyridine-2-carboxamide
CID 169269082

Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-[[(1R)-1-(2-cyclopropyl-3,6-dimethyl-4-oxochromen-8-yl)ethyl]amino]-N-methylsulfonylpyridine-2-carboxamide?
The IUPAC name of 6-chloro-3-[[(1R)-1-(2-cyclopropyl-3,6-dimethyl-4-oxochromen-8-yl)ethyl]amino]-N-methylsulfonylpyridine-2-carboxamide (CID 169270223) is 6-chloro-3-[[(1R)-1-(2-cyclopropyl-3,6-dimethyl-4-oxochromen-8-yl)ethyl]amino]-N-methylsulfonylpyridine-2-carboxamide.
What is the SMILES notation for 6-chloro-3-[[(1R)-1-(2-cyclopropyl-3,6-dimethyl-4-oxochromen-8-yl)ethyl]amino]-N-methylsulfonylpyridine-2-carboxamide?
The canonical SMILES for 6-chloro-3-[[(1R)-1-(2-cyclopropyl-3,6-dimethyl-4-oxochromen-8-yl)ethyl]amino]-N-methylsulfonylpyridine-2-carboxamide is Cc1cc([C@@H](C)Nc2ccc(Cl)nc2C(=O)NS(C)(=O)=O)c2oc(C3CC3)c(C)c(=O)c2c1.
What is the InChIKey of 6-chloro-3-[[(1R)-1-(2-cyclopropyl-3,6-dimethyl-4-oxochromen-8-yl)ethyl]amino]-N-methylsulfonylpyridine-2-carboxamide?
The InChIKey is IZOAKZCSOCOXLF-CYBMUJFWSA-N. The full InChI is InChI=1S/C23H24ClN3O5S/c1-11-9-15(22-16(10-11)20(28)12(2)21(32-22)14-5-6-14)13(3)25-17-7-8-18(24)26-19(17)23(29)27-33(4,30)31/h7-10,13-14,25H,5-6H2,1-4H3,(H,27,29)/t13-/m1/s1.
What are the key properties of 6-chloro-3-[[(1R)-1-(2-cyclopropyl-3,6-dimethyl-4-oxochromen-8-yl)ethyl]amino]-N-methylsulfonylpyridine-2-carboxamide?
6-chloro-3-[[(1R)-1-(2-cyclopropyl-3,6-dimethyl-4-oxochromen-8-yl)ethyl]amino]-N-methylsulfonylpyridine-2-carboxamide has a molecular weight of 489.98 g/mol, XLogP of 4.20, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-[[(1R)-1-(2-cyclopropyl-3,6-dimethyl-4-oxochromen-8-yl)ethyl]amino]-N-methylsulfonylpyridine-2-carboxamide is sourced from PubChem (CID 169270223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).