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

C23H24ClN3O3S — CID 169270813

IUPAC6-chloro-3-[[(1R)-1-(2-cyclopropyl-3,6-dimethyl-4-oxochromen-8-yl)ethyl]amino]-N-methylsulfanylpyridine-2-carboxamide
SMILESCSNC(=O)c1nc(Cl)ccc1N[C@H](C)c1cc(C)cc2c(=O)c(C)c(C3CC3)oc12
InChIInChI=1S/C23H24ClN3O3S/c1-11-9-15(22-16(10-11)20(28)12(2)21(30-22)14-5-6-14)13(3)25-17-7-8-18(24)26-19(17)23(29)27-31-4/h7-10,13-14,25H,5-6H2,1-4H3,(H,27,29)/t13-/m1/s1
InChIKeyGOOPTMJJNGOAJW-CYBMUJFWSA-N
MW457.98 g/mol
LogP5.52
Rot. Bonds6

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

6-chloro-3-[[(1R)-1-(2-cyclopropyl-3,6-dimethyl-4-oxochromen-8-yl)ethyl]amino]-N-methylsulfanylpyridine-2-carboxamide (PubChem CID 169270813) has the molecular formula C23H24ClN3O3S and a molecular weight of 457.98 g/mol. Its IUPAC name is 6-chloro-3-[[(1R)-1-(2-cyclopropyl-3,6-dimethyl-4-oxochromen-8-yl)ethyl]amino]-N-methylsulfanylpyridine-2-carboxamide.

Molecular Properties

Compound Name6-chloro-3-[[(1R)-1-(2-cyclopropyl-3,6-dimethyl-4-oxochromen-8-yl)ethyl]amino]-N-methylsulfanylpyridine-2-carboxamide
PubChem CID169270813
Molecular FormulaC23H24ClN3O3S
Molecular Weight457.98 g/mol
Exact Mass457.12
IUPAC Name6-chloro-3-[[(1R)-1-(2-cyclopropyl-3,6-dimethyl-4-oxochromen-8-yl)ethyl]amino]-N-methylsulfanylpyridine-2-carboxamide
SMILESCSNC(=O)c1nc(Cl)ccc1N[C@H](C)c1cc(C)cc2c(=O)c(C)c(C3CC3)oc12
InChIInChI=1S/C23H24ClN3O3S/c1-11-9-15(22-16(10-11)20(28)12(2)21(30-22)14-5-6-14)13(3)25-17-7-8-18(24)26-19(17)23(29)27-31-4/h7-10,13-14,25H,5-6H2,1-4H3,(H,27,29)/t13-/m1/s1
InChIKeyGOOPTMJJNGOAJW-CYBMUJFWSA-N
XLogP5.52
TPSA84.23 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500457.98
LogP ≤ 55.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

6-chloro-3-[[(1R)-1-(2-cyclopropyl-3,6-dimethyl-4-oxochromen-8-yl)ethyl]amino]-N-methylsulfonylpyridine-2-carboxamide
CID 169270223
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-[[(1R)-1-[2-(4,4-difluorocyclohexyl)-3,6-dimethyl-4-oxochromen-8-yl]ethyl]amino]-N-methylsulfonylpyridine-2-carboxamide
CID 169269744
3-[6-chloro-3-[[(1R)-1-(2-cyclopropyl-3,6-dimethyl-4-oxochromen-8-yl)ethyl]amino]-2-pyridinyl]-4H-1,2,4-oxadiazol-5-one
CID 169269979
6-chloro-3-[1-[3,6-dimethyl-4-oxo-2-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-3-yl)chromen-8-yl]ethylamino]-N-methylsulfanylpyridine-2-carboxamide
CID 169269557
6-chloro-3-[1-(3,6-dimethyl-4-oxo-2-phenylchromen-8-yl)ethylamino]-N-hydroxypyridine-2-carboxamide
CID 169269774
6-chloro-3-[[(1R)-1-(3,6-dimethyl-4-oxo-2-phenylchromen-8-yl)ethyl]amino]-N-methoxypyridine-2-carboxamide
CID 169270791
6-chloro-3-[1-(3,6-dimethyl-4-oxo-2-phenylchromen-8-yl)ethylamino]-N-methylsulfonylpyridine-2-carboxamide
CID 169269012
6-chloro-3-[1-(3,6-dimethyl-4-oxo-2-piperidin-1-ylchromen-8-yl)ethylamino]pyridine-2-carboxylic acid
CID 156876285
6-chloro-3-[1-(3,6-dimethyl-4-oxo-2-piperidin-1-ylquinazolin-8-yl)ethylamino]-N-methylsulfanylpyridine-2-carboxamide
CID 176692268
6-chloro-3-[(1R)-1-(2-cyclopropyl-3,6-dimethyl-4-oxochromen-8-yl)ethoxy]-N'-hydroxypyridine-2-carboximidamide
CID 171611184
6-chloro-3-[1-(2-ethylsulfinyl-3,6-dimethyl-4-oxochromen-8-yl)ethylamino]pyridine-2-carboxylic acid
CID 156876534

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-methylsulfanylpyridine-2-carboxamide?
The IUPAC name of 6-chloro-3-[[(1R)-1-(2-cyclopropyl-3,6-dimethyl-4-oxochromen-8-yl)ethyl]amino]-N-methylsulfanylpyridine-2-carboxamide (CID 169270813) is 6-chloro-3-[[(1R)-1-(2-cyclopropyl-3,6-dimethyl-4-oxochromen-8-yl)ethyl]amino]-N-methylsulfanylpyridine-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-methylsulfanylpyridine-2-carboxamide?
The canonical SMILES for 6-chloro-3-[[(1R)-1-(2-cyclopropyl-3,6-dimethyl-4-oxochromen-8-yl)ethyl]amino]-N-methylsulfanylpyridine-2-carboxamide is CSNC(=O)c1nc(Cl)ccc1N[C@H](C)c1cc(C)cc2c(=O)c(C)c(C3CC3)oc12.
What is the InChIKey of 6-chloro-3-[[(1R)-1-(2-cyclopropyl-3,6-dimethyl-4-oxochromen-8-yl)ethyl]amino]-N-methylsulfanylpyridine-2-carboxamide?
The InChIKey is GOOPTMJJNGOAJW-CYBMUJFWSA-N. The full InChI is InChI=1S/C23H24ClN3O3S/c1-11-9-15(22-16(10-11)20(28)12(2)21(30-22)14-5-6-14)13(3)25-17-7-8-18(24)26-19(17)23(29)27-31-4/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-methylsulfanylpyridine-2-carboxamide?
6-chloro-3-[[(1R)-1-(2-cyclopropyl-3,6-dimethyl-4-oxochromen-8-yl)ethyl]amino]-N-methylsulfanylpyridine-2-carboxamide has a molecular weight of 457.98 g/mol, XLogP of 5.52, 6 rotatable bonds, 2 hydrogen bond donors, and 6 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-methylsulfanylpyridine-2-carboxamide is sourced from PubChem (CID 169270813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).