N-[[6-chloro-3-[[(1R)-1-(3,6-dimethyl-4-oxo-2-pyridin-2-ylchromen-8-yl)ethyl]amino]-2-pyridinyl]sulfonyl]acetamide

C25H23ClN4O5S — CID 169270864

IUPACN-[[6-chloro-3-[[(1R)-1-(3,6-dimethyl-4-oxo-2-pyridin-2-ylchromen-8-yl)ethyl]amino]-2-pyridinyl]sulfonyl]acetamide
SMILESCC(=O)NS(=O)(=O)c1nc(Cl)ccc1N[C@H](C)c1cc(C)cc2c(=O)c(C)c(-c3ccccn3)oc12
InChIInChI=1S/C25H23ClN4O5S/c1-13-11-17(15(3)28-20-8-9-21(26)29-25(20)36(33,34)30-16(4)31)24-18(12-13)22(32)14(2)23(35-24)19-7-5-6-10-27-19/h5-12,15,28H,1-4H3,(H,30,31)/t15-/m1/s1
InChIKeyBFSKLWFNCCHBFT-OAHLLOKOSA-N
MW527.00 g/mol
LogP4.52
Rot. Bonds6

About N-[[6-chloro-3-[[(1R)-1-(3,6-dimethyl-4-oxo-2-pyridin-2-ylchromen-8-yl)ethyl]amino]-2-pyridinyl]sulfonyl]acetamide

N-[[6-chloro-3-[[(1R)-1-(3,6-dimethyl-4-oxo-2-pyridin-2-ylchromen-8-yl)ethyl]amino]-2-pyridinyl]sulfonyl]acetamide (PubChem CID 169270864) has the molecular formula C25H23ClN4O5S and a molecular weight of 527.00 g/mol. Its IUPAC name is N-[[6-chloro-3-[[(1R)-1-(3,6-dimethyl-4-oxo-2-pyridin-2-ylchromen-8-yl)ethyl]amino]-2-pyridinyl]sulfonyl]acetamide.

Molecular Properties

Compound NameN-[[6-chloro-3-[[(1R)-1-(3,6-dimethyl-4-oxo-2-pyridin-2-ylchromen-8-yl)ethyl]amino]-2-pyridinyl]sulfonyl]acetamide
PubChem CID169270864
Molecular FormulaC25H23ClN4O5S
Molecular Weight527.00 g/mol
Exact Mass526.11
IUPAC NameN-[[6-chloro-3-[[(1R)-1-(3,6-dimethyl-4-oxo-2-pyridin-2-ylchromen-8-yl)ethyl]amino]-2-pyridinyl]sulfonyl]acetamide
SMILESCC(=O)NS(=O)(=O)c1nc(Cl)ccc1N[C@H](C)c1cc(C)cc2c(=O)c(C)c(-c3ccccn3)oc12
InChIInChI=1S/C25H23ClN4O5S/c1-13-11-17(15(3)28-20-8-9-21(26)29-25(20)36(33,34)30-16(4)31)24-18(12-13)22(32)14(2)23(35-24)19-7-5-6-10-27-19/h5-12,15,28H,1-4H3,(H,30,31)/t15-/m1/s1
InChIKeyBFSKLWFNCCHBFT-OAHLLOKOSA-N
XLogP4.52
TPSA131.26 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500527.00
LogP ≤ 54.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

N-tert-butyl-6-chloro-3-[[(1R)-1-(3,6-dimethyl-4-oxo-2-pyridin-2-ylchromen-8-yl)ethyl]amino]pyridine-2-sulfonamide
CID 170421589
6-chloro-3-[[(1R)-1-(3,6-dimethyl-4-oxo-2-pyridin-2-ylchromen-8-yl)ethyl]amino]-N-methoxypyridine-2-carboxamide
CID 169269486
8-[1-[[2-(tert-butylamino)sulfanyl-6-chloro-3-pyridinyl]amino]ethyl]-3,6-dimethyl-2-pyridin-2-ylchromen-4-one
CID 169268715
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-2-(1-methylpyrazol-4-yl)-4-oxochromen-8-yl]ethylamino]-N-pyridin-2-ylsulfonylpyridine-2-carboxamide
CID 174201928
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-[1-[2-(2,6-difluorophenyl)-3,6-dimethyl-4-oxochromen-8-yl]ethylamino]-N-methylsulfonylpyridine-2-carboxamide
CID 174204491
6-chloro-3-[(1R)-1-(3,6-dimethyl-4-oxo-2-pyridin-2-ylchromen-8-yl)ethoxy]pyridine-2-carboxylic acid
CID 171549075
2-[1-(3,6-dimethyl-4-oxo-2-pyridin-2-ylchromen-8-yl)ethylamino]-N'-hydrazinylbenzenecarboximidamide
CID 169270027
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-[1-(3,6-dimethyl-4-oxo-2-phenylchromen-8-yl)ethylamino]-N-hydroxypyridine-2-carboxamide
CID 169269774
6-[[(1R)-1-(3,6-dimethyl-4-oxo-2-pyridin-2-ylchromen-8-yl)ethyl]amino]-2,3-difluoro-N'-hydroxybenzenecarboximidamide
CID 174166908

Frequently Asked Questions

What is the IUPAC name of N-[[6-chloro-3-[[(1R)-1-(3,6-dimethyl-4-oxo-2-pyridin-2-ylchromen-8-yl)ethyl]amino]-2-pyridinyl]sulfonyl]acetamide?
The IUPAC name of N-[[6-chloro-3-[[(1R)-1-(3,6-dimethyl-4-oxo-2-pyridin-2-ylchromen-8-yl)ethyl]amino]-2-pyridinyl]sulfonyl]acetamide (CID 169270864) is N-[[6-chloro-3-[[(1R)-1-(3,6-dimethyl-4-oxo-2-pyridin-2-ylchromen-8-yl)ethyl]amino]-2-pyridinyl]sulfonyl]acetamide.
What is the SMILES notation for N-[[6-chloro-3-[[(1R)-1-(3,6-dimethyl-4-oxo-2-pyridin-2-ylchromen-8-yl)ethyl]amino]-2-pyridinyl]sulfonyl]acetamide?
The canonical SMILES for N-[[6-chloro-3-[[(1R)-1-(3,6-dimethyl-4-oxo-2-pyridin-2-ylchromen-8-yl)ethyl]amino]-2-pyridinyl]sulfonyl]acetamide is CC(=O)NS(=O)(=O)c1nc(Cl)ccc1N[C@H](C)c1cc(C)cc2c(=O)c(C)c(-c3ccccn3)oc12.
What is the InChIKey of N-[[6-chloro-3-[[(1R)-1-(3,6-dimethyl-4-oxo-2-pyridin-2-ylchromen-8-yl)ethyl]amino]-2-pyridinyl]sulfonyl]acetamide?
The InChIKey is BFSKLWFNCCHBFT-OAHLLOKOSA-N. The full InChI is InChI=1S/C25H23ClN4O5S/c1-13-11-17(15(3)28-20-8-9-21(26)29-25(20)36(33,34)30-16(4)31)24-18(12-13)22(32)14(2)23(35-24)19-7-5-6-10-27-19/h5-12,15,28H,1-4H3,(H,30,31)/t15-/m1/s1.
What are the key properties of N-[[6-chloro-3-[[(1R)-1-(3,6-dimethyl-4-oxo-2-pyridin-2-ylchromen-8-yl)ethyl]amino]-2-pyridinyl]sulfonyl]acetamide?
N-[[6-chloro-3-[[(1R)-1-(3,6-dimethyl-4-oxo-2-pyridin-2-ylchromen-8-yl)ethyl]amino]-2-pyridinyl]sulfonyl]acetamide has a molecular weight of 527.00 g/mol, XLogP of 4.52, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-chloro-3-[[(1R)-1-(3,6-dimethyl-4-oxo-2-pyridin-2-ylchromen-8-yl)ethyl]amino]-2-pyridinyl]sulfonyl]acetamide is sourced from PubChem (CID 169270864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).