6-(3,5-dichlorophenyl)sulfanyl-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-4-morpholin-4-ylpyridine-3-carboxamide

C25H23Cl2N3O3S — CID 163397192

IUPAC6-(3,5-dichlorophenyl)sulfanyl-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-4-morpholin-4-ylpyridine-3-carboxamide
SMILESO=C(N[C@H]1CCOc2ccccc21)c1cnc(Sc2cc(Cl)cc(Cl)c2)cc1N1CCOCC1
InChIInChI=1S/C25H23Cl2N3O3S/c26-16-11-17(27)13-18(12-16)34-24-14-22(30-6-9-32-10-7-30)20(15-28-24)25(31)29-21-5-8-33-23-4-2-1-3-19(21)23/h1-4,11-15,21H,5-10H2,(H,29,31)/t21-/m0/s1
InChIKeyVQBHGABKINKEKC-NRFANRHFSA-N
MW516.45 g/mol
LogP5.63
Rot. Bonds5

About 6-(3,5-dichlorophenyl)sulfanyl-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-4-morpholin-4-ylpyridine-3-carboxamide

6-(3,5-dichlorophenyl)sulfanyl-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-4-morpholin-4-ylpyridine-3-carboxamide (PubChem CID 163397192) has the molecular formula C25H23Cl2N3O3S and a molecular weight of 516.45 g/mol. Its IUPAC name is 6-(3,5-dichlorophenyl)sulfanyl-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-4-morpholin-4-ylpyridine-3-carboxamide.

Molecular Properties

Compound Name6-(3,5-dichlorophenyl)sulfanyl-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-4-morpholin-4-ylpyridine-3-carboxamide
PubChem CID163397192
Molecular FormulaC25H23Cl2N3O3S
Molecular Weight516.45 g/mol
Exact Mass515.08
IUPAC Name6-(3,5-dichlorophenyl)sulfanyl-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-4-morpholin-4-ylpyridine-3-carboxamide
SMILESO=C(N[C@H]1CCOc2ccccc21)c1cnc(Sc2cc(Cl)cc(Cl)c2)cc1N1CCOCC1
InChIInChI=1S/C25H23Cl2N3O3S/c26-16-11-17(27)13-18(12-16)34-24-14-22(30-6-9-32-10-7-30)20(15-28-24)25(31)29-21-5-8-33-23-4-2-1-3-19(21)23/h1-4,11-15,21H,5-10H2,(H,29,31)/t21-/m0/s1
InChIKeyVQBHGABKINKEKC-NRFANRHFSA-N
XLogP5.63
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500516.45
LogP ≤ 55.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

8-(3,5-dichlorophenyl)-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-4-morpholin-4-yl-1,5-naphthyridine-3-carboxamide
CID 137372253
2,5-dichloro-N-(3,4-dihydro-2H-chromen-4-yl)benzamide
CID 17398547
3,5-dichloro-N-(3,4-dihydro-2H-chromen-4-yl)benzamide
CID 46813722
4-(azetidin-1-yl)-8-(3,5-dichlorophenyl)-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]quinoline-3-carboxamide
CID 134511570
N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-2-morpholin-4-ylquinoline-4-carboxamide
CID 92614865
6-(3,5-dichlorophenyl)sulfanyl-4-(dimethylamino)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]pyridine-3-carboxamide
CID 167110546
7-chloro-8-(3,5-dichlorophenyl)-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-4-(dimethylamino)-1,5-naphthyridine-3-carboxamide
CID 146501502
8-(3,5-dichlorophenyl)-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-4-phenyl-1,7-naphthyridine-3-carboxamide
CID 154942201
1-(3,5-dichlorophenyl)-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-5-(dimethylamino)isoquinoline-6-carboxamide
CID 152677178
4-(3,5-dichlorophenyl)-8-(diethylamino)-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]pyrido[3,2-d]pyrimidine-7-carboxamide
CID 168863146
8-(3,5-dichlorophenyl)-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-4-(4-oxoimidazolidin-1-yl)-1,7-naphthyridine-3-carboxamide
CID 154942289
8-(3,5-dichlorophenyl)-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-4-propan-2-ylquinoline-3-carboxamide
CID 134502145

Frequently Asked Questions

What is the IUPAC name of 6-(3,5-dichlorophenyl)sulfanyl-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-4-morpholin-4-ylpyridine-3-carboxamide?
The IUPAC name of 6-(3,5-dichlorophenyl)sulfanyl-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-4-morpholin-4-ylpyridine-3-carboxamide (CID 163397192) is 6-(3,5-dichlorophenyl)sulfanyl-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-4-morpholin-4-ylpyridine-3-carboxamide.
What is the SMILES notation for 6-(3,5-dichlorophenyl)sulfanyl-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-4-morpholin-4-ylpyridine-3-carboxamide?
The canonical SMILES for 6-(3,5-dichlorophenyl)sulfanyl-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-4-morpholin-4-ylpyridine-3-carboxamide is O=C(N[C@H]1CCOc2ccccc21)c1cnc(Sc2cc(Cl)cc(Cl)c2)cc1N1CCOCC1.
What is the InChIKey of 6-(3,5-dichlorophenyl)sulfanyl-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-4-morpholin-4-ylpyridine-3-carboxamide?
The InChIKey is VQBHGABKINKEKC-NRFANRHFSA-N. The full InChI is InChI=1S/C25H23Cl2N3O3S/c26-16-11-17(27)13-18(12-16)34-24-14-22(30-6-9-32-10-7-30)20(15-28-24)25(31)29-21-5-8-33-23-4-2-1-3-19(21)23/h1-4,11-15,21H,5-10H2,(H,29,31)/t21-/m0/s1.
What are the key properties of 6-(3,5-dichlorophenyl)sulfanyl-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-4-morpholin-4-ylpyridine-3-carboxamide?
6-(3,5-dichlorophenyl)sulfanyl-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-4-morpholin-4-ylpyridine-3-carboxamide has a molecular weight of 516.45 g/mol, XLogP of 5.63, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,5-dichlorophenyl)sulfanyl-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-4-morpholin-4-ylpyridine-3-carboxamide is sourced from PubChem (CID 163397192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).