N-[(3R,4S)-6-acetyl-3-hydroxy-2,2-dimethyl-3,4-dihydropyrano[2,3-b]pyridin-4-yl]-2,3-dichlorobenzamide

C19H18Cl2N2O4 — CID 70279555

IUPACN-[(3R,4S)-6-acetyl-3-hydroxy-2,2-dimethyl-3,4-dihydropyrano[2,3-b]pyridin-4-yl]-2,3-dichlorobenzamide
SMILESCC(=O)c1cnc2c(c1)[C@H](NC(=O)c1cccc(Cl)c1Cl)[C@@H](O)C(C)(C)O2
InChIInChI=1S/C19H18Cl2N2O4/c1-9(24)10-7-12-15(16(25)19(2,3)27-18(12)22-8-10)23-17(26)11-5-4-6-13(20)14(11)21/h4-8,15-16,25H,1-3H3,(H,23,26)/t15-,16+/m0/s1
InChIKeyCVYXXLZBDKXALE-JKSUJKDBSA-N
MW409.27 g/mol
LogP3.59
Rot. Bonds3

About N-[(3R,4S)-6-acetyl-3-hydroxy-2,2-dimethyl-3,4-dihydropyrano[2,3-b]pyridin-4-yl]-2,3-dichlorobenzamide

N-[(3R,4S)-6-acetyl-3-hydroxy-2,2-dimethyl-3,4-dihydropyrano[2,3-b]pyridin-4-yl]-2,3-dichlorobenzamide (PubChem CID 70279555) has the molecular formula C19H18Cl2N2O4 and a molecular weight of 409.27 g/mol. Its IUPAC name is N-[(3R,4S)-6-acetyl-3-hydroxy-2,2-dimethyl-3,4-dihydropyrano[2,3-b]pyridin-4-yl]-2,3-dichlorobenzamide.

Molecular Properties

Compound NameN-[(3R,4S)-6-acetyl-3-hydroxy-2,2-dimethyl-3,4-dihydropyrano[2,3-b]pyridin-4-yl]-2,3-dichlorobenzamide
PubChem CID70279555
Molecular FormulaC19H18Cl2N2O4
Molecular Weight409.27 g/mol
Exact Mass408.06
IUPAC NameN-[(3R,4S)-6-acetyl-3-hydroxy-2,2-dimethyl-3,4-dihydropyrano[2,3-b]pyridin-4-yl]-2,3-dichlorobenzamide
SMILESCC(=O)c1cnc2c(c1)[C@H](NC(=O)c1cccc(Cl)c1Cl)[C@@H](O)C(C)(C)O2
InChIInChI=1S/C19H18Cl2N2O4/c1-9(24)10-7-12-15(16(25)19(2,3)27-18(12)22-8-10)23-17(26)11-5-4-6-13(20)14(11)21/h4-8,15-16,25H,1-3H3,(H,23,26)/t15-,16+/m0/s1
InChIKeyCVYXXLZBDKXALE-JKSUJKDBSA-N
XLogP3.59
TPSA88.52 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.27
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[(3R,4S)-6-acetyl-3-hydroxy-2,2-dimethyl-3,4-dihydropyrano[2,3-b]pyridin-4-yl]-2,3-dichlorobenzamide with MolForge

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Related Compounds

N-(6-acetyl-3-hydroxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)-3-chloro-2-fluorobenzamide
CID 67557547
N-[6-acetyl-3-(hydroxymethyl)-2,2-dimethyl-3,4-dihydrochromen-4-yl]-2,3-dichlorobenzamide
CID 45480991
[(3R,4S)-6-acetyl-4-[(2,3-dichlorobenzoyl)amino]-2,2-dimethyl-3,4-dihydrochromen-3-yl] dihydrogen phosphate
CID 118197890
[(3R,4R)-6-acetyl-4-[(2,3-dichlorobenzoyl)amino]-2,2-dimethyl-3,4-dihydrochromen-3-yl] dihydrogen phosphate
CID 118197891
N-[(3S,4R)-8-acetyl-3-hydroxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]-3-chlorobenzamide
CID 70283893
[(3S,4S)-6-acetyl-4-[(2-chlorobenzoyl)amino]-2,2-dimethyl-3,4-dihydrochromen-3-yl]oxymethyl hydrogen phosphate
CID 140750516
N-[(3S,4R)-6-acetyl-3-hydroxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]thiophene-2-carboxamide
CID 70171989
2,3-dichloro-N-(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)benzamide
CID 46656545
2,3-dichloro-N-(2-chloro-4-methylphenyl)benzamide
CID 7926718
1-[5-(2,3-dichlorophenyl)-3-pyridinyl]ethanone
CID 82540749
2,3-dichloro-N-sulfanylbenzamide
CID 71773851
N-tert-butyl-2,3-dichlorobenzamide
CID 60643074

Frequently Asked Questions

What is the IUPAC name of N-[(3R,4S)-6-acetyl-3-hydroxy-2,2-dimethyl-3,4-dihydropyrano[2,3-b]pyridin-4-yl]-2,3-dichlorobenzamide?
The IUPAC name of N-[(3R,4S)-6-acetyl-3-hydroxy-2,2-dimethyl-3,4-dihydropyrano[2,3-b]pyridin-4-yl]-2,3-dichlorobenzamide (CID 70279555) is N-[(3R,4S)-6-acetyl-3-hydroxy-2,2-dimethyl-3,4-dihydropyrano[2,3-b]pyridin-4-yl]-2,3-dichlorobenzamide.
What is the SMILES notation for N-[(3R,4S)-6-acetyl-3-hydroxy-2,2-dimethyl-3,4-dihydropyrano[2,3-b]pyridin-4-yl]-2,3-dichlorobenzamide?
The canonical SMILES for N-[(3R,4S)-6-acetyl-3-hydroxy-2,2-dimethyl-3,4-dihydropyrano[2,3-b]pyridin-4-yl]-2,3-dichlorobenzamide is CC(=O)c1cnc2c(c1)[C@H](NC(=O)c1cccc(Cl)c1Cl)[C@@H](O)C(C)(C)O2.
What is the InChIKey of N-[(3R,4S)-6-acetyl-3-hydroxy-2,2-dimethyl-3,4-dihydropyrano[2,3-b]pyridin-4-yl]-2,3-dichlorobenzamide?
The InChIKey is CVYXXLZBDKXALE-JKSUJKDBSA-N. The full InChI is InChI=1S/C19H18Cl2N2O4/c1-9(24)10-7-12-15(16(25)19(2,3)27-18(12)22-8-10)23-17(26)11-5-4-6-13(20)14(11)21/h4-8,15-16,25H,1-3H3,(H,23,26)/t15-,16+/m0/s1.
What are the key properties of N-[(3R,4S)-6-acetyl-3-hydroxy-2,2-dimethyl-3,4-dihydropyrano[2,3-b]pyridin-4-yl]-2,3-dichlorobenzamide?
N-[(3R,4S)-6-acetyl-3-hydroxy-2,2-dimethyl-3,4-dihydropyrano[2,3-b]pyridin-4-yl]-2,3-dichlorobenzamide has a molecular weight of 409.27 g/mol, XLogP of 3.59, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R,4S)-6-acetyl-3-hydroxy-2,2-dimethyl-3,4-dihydropyrano[2,3-b]pyridin-4-yl]-2,3-dichlorobenzamide is sourced from PubChem (CID 70279555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).