4-[3-chloro-5-(4-propyl-1,3-oxazol-5-yl)-2-pyridinyl]-N-(6-fluoro-1,3-benzothiazol-2-yl)-3,6-dihydro-2H-pyridine-1-carboxamide

C24H21ClFN5O2S — CID 123399090

IUPAC4-[3-chloro-5-(4-propyl-1,3-oxazol-5-yl)-2-pyridinyl]-N-(6-fluoro-1,3-benzothiazol-2-yl)-3,6-dihydro-2H-pyridine-1-carboxamide
SMILESCCCc1ncoc1-c1cnc(C2=CCN(C(=O)Nc3nc4ccc(F)cc4s3)CC2)c(Cl)c1
InChIInChI=1S/C24H21ClFN5O2S/c1-2-3-19-22(33-13-28-19)15-10-17(25)21(27-12-15)14-6-8-31(9-7-14)24(32)30-23-29-18-5-4-16(26)11-20(18)34-23/h4-6,10-13H,2-3,7-9H2,1H3,(H,29,30,32)
InChIKeyZZOCPHNWMFNFGB-UHFFFAOYSA-N
MW497.98 g/mol
LogP6.41
Rot. Bonds5

About 4-[3-chloro-5-(4-propyl-1,3-oxazol-5-yl)-2-pyridinyl]-N-(6-fluoro-1,3-benzothiazol-2-yl)-3,6-dihydro-2H-pyridine-1-carboxamide

4-[3-chloro-5-(4-propyl-1,3-oxazol-5-yl)-2-pyridinyl]-N-(6-fluoro-1,3-benzothiazol-2-yl)-3,6-dihydro-2H-pyridine-1-carboxamide (PubChem CID 123399090) has the molecular formula C24H21ClFN5O2S and a molecular weight of 497.98 g/mol. Its IUPAC name is 4-[3-chloro-5-(4-propyl-1,3-oxazol-5-yl)-2-pyridinyl]-N-(6-fluoro-1,3-benzothiazol-2-yl)-3,6-dihydro-2H-pyridine-1-carboxamide.

Molecular Properties

Compound Name4-[3-chloro-5-(4-propyl-1,3-oxazol-5-yl)-2-pyridinyl]-N-(6-fluoro-1,3-benzothiazol-2-yl)-3,6-dihydro-2H-pyridine-1-carboxamide
PubChem CID123399090
Molecular FormulaC24H21ClFN5O2S
Molecular Weight497.98 g/mol
Exact Mass497.11
IUPAC Name4-[3-chloro-5-(4-propyl-1,3-oxazol-5-yl)-2-pyridinyl]-N-(6-fluoro-1,3-benzothiazol-2-yl)-3,6-dihydro-2H-pyridine-1-carboxamide
SMILESCCCc1ncoc1-c1cnc(C2=CCN(C(=O)Nc3nc4ccc(F)cc4s3)CC2)c(Cl)c1
InChIInChI=1S/C24H21ClFN5O2S/c1-2-3-19-22(33-13-28-19)15-10-17(25)21(27-12-15)14-6-8-31(9-7-14)24(32)30-23-29-18-5-4-16(26)11-20(18)34-23/h4-6,10-13H,2-3,7-9H2,1H3,(H,29,30,32)
InChIKeyZZOCPHNWMFNFGB-UHFFFAOYSA-N
XLogP6.41
TPSA84.15 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500497.98
LogP ≤ 56.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-[3-chloro-5-(4-propyl-1,3-oxazol-5-yl)-2-pyridinyl]-N-(6-fluoro-1,3-benzothiazol-2-yl)-3,6-dihydro-2H-pyridine-1-carboxamide with MolForge

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Related Compounds

4-[3-chloro-5-(4-hydroxybutyl)-2-pyridinyl]-N-(6-fluoro-1,3-benzothiazol-2-yl)-3,6-dihydro-2H-pyridine-1-carboxamide
CID 123397111
N-(6-fluoro-1,3-benzothiazol-2-yl)-4-[3-fluoro-5-[(1S,2S)-1,2,3-trihydroxypropyl]-2-pyridinyl]-3,6-dihydro-2H-pyridine-1-carboxamide
CID 56597493
4-[5-[(1S)-1,2-dihydroxyethyl]-3-fluoro-2-pyridinyl]-N-(6-ethenyl-1,3-benzothiazol-2-yl)-3,6-dihydro-2H-pyridine-1-carboxamide
CID 121257476
4-[3-chloro-5-[(3R,4R)-3,4-dihydroxy-2-oxopyrrolidin-1-yl]-2-pyridinyl]-N-(3-chloro-4-methylphenyl)-3,6-dihydro-2H-pyridine-1-carboxamide;4-[3-chloro-5-[(3R,4R)-3,4-dihydroxy-2-oxopyrrolidin-1-yl]-2-pyridinyl]-N-(6-fluoro-1,3-benzothiazol-2-yl)-3,6-dihydro-2H-pyridine-1-carboxamide;4-[3-chloro-5-[(3R,4R)-3,4-dihydroxy-2-oxopyrrolidin-1-yl]-2-pyridinyl]-N-(5-methyl-2-pyridinyl)-3,6-dihydro-2H-pyridine-1-carboxamide;4-[3-chloro-5-[(3R,4S)-3,4-dihydroxypyrrolidin-1-yl]-2-pyridinyl]-N-(3-chloro-4-methylphenyl)-3,6-dihydro-2H-pyridine-1-carboxamide;4-[3-chloro-5-[(3R,4S)-3,4-dihydroxypyrrolidin-1-yl]-2-pyridinyl]-N-(3-chloro-4-methylphenyl)piperidine-1-carboxamide;4-[3-chloro-5-[(3R,4S)-3,4-dihydroxypyrrolidin-1-yl]-2-pyridinyl]-N-(5-methyl-2-pyridinyl)-3,6-dihydro-2H-pyridine-1-carboxamide
CID 161190837
[5-[5-chloro-6-[1-[3-chloro-4-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridin-4-yl]-3-pyridinyl]-1,3-oxazol-4-yl]methanol
CID 71014548
N-(6-fluoro-1,3-benzothiazol-2-yl)-2-methylbutanamide
CID 24625327
4-[3-chloro-5-[5-(hydroxymethyl)-1,2-oxazol-3-yl]-2-pyridinyl]-N-[5-(1,1-difluoropropyl)-2-pyridinyl]-3,6-dihydro-2H-pyridine-1-carboxamide
CID 123689415
4-[3-chloro-5-[5-(2-hydroxyethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]-N-(3,4-dimethylphenyl)-3,6-dihydro-2H-pyridine-1-carboxamide
CID 90380903
(2R)-2-bromo-N-(6-fluoro-1,3-benzothiazol-2-yl)pentanamide
CID 28662479
4-[3-chloro-5-[5-(1,3-dihydroxypropan-2-yl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]-N-[5-(1,1-difluoropropyl)-2-pyridinyl]-3,6-dihydro-2H-pyridine-1-carboxamide
CID 123629363
(2R)-2-(4-ethylpiperazin-1-yl)-N-(6-fluoro-1,3-benzothiazol-2-yl)propanamide
CID 95908915
N-[4-bromo-3-(trifluoromethyl)phenyl]-4-[3-chloro-5-(2-hydroxyethyl)-2-pyridinyl]-3,6-dihydro-2H-pyridine-1-carboxamide;ethane
CID 144813754

Frequently Asked Questions

What is the IUPAC name of 4-[3-chloro-5-(4-propyl-1,3-oxazol-5-yl)-2-pyridinyl]-N-(6-fluoro-1,3-benzothiazol-2-yl)-3,6-dihydro-2H-pyridine-1-carboxamide?
The IUPAC name of 4-[3-chloro-5-(4-propyl-1,3-oxazol-5-yl)-2-pyridinyl]-N-(6-fluoro-1,3-benzothiazol-2-yl)-3,6-dihydro-2H-pyridine-1-carboxamide (CID 123399090) is 4-[3-chloro-5-(4-propyl-1,3-oxazol-5-yl)-2-pyridinyl]-N-(6-fluoro-1,3-benzothiazol-2-yl)-3,6-dihydro-2H-pyridine-1-carboxamide.
What is the SMILES notation for 4-[3-chloro-5-(4-propyl-1,3-oxazol-5-yl)-2-pyridinyl]-N-(6-fluoro-1,3-benzothiazol-2-yl)-3,6-dihydro-2H-pyridine-1-carboxamide?
The canonical SMILES for 4-[3-chloro-5-(4-propyl-1,3-oxazol-5-yl)-2-pyridinyl]-N-(6-fluoro-1,3-benzothiazol-2-yl)-3,6-dihydro-2H-pyridine-1-carboxamide is CCCc1ncoc1-c1cnc(C2=CCN(C(=O)Nc3nc4ccc(F)cc4s3)CC2)c(Cl)c1.
What is the InChIKey of 4-[3-chloro-5-(4-propyl-1,3-oxazol-5-yl)-2-pyridinyl]-N-(6-fluoro-1,3-benzothiazol-2-yl)-3,6-dihydro-2H-pyridine-1-carboxamide?
The InChIKey is ZZOCPHNWMFNFGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21ClFN5O2S/c1-2-3-19-22(33-13-28-19)15-10-17(25)21(27-12-15)14-6-8-31(9-7-14)24(32)30-23-29-18-5-4-16(26)11-20(18)34-23/h4-6,10-13H,2-3,7-9H2,1H3,(H,29,30,32).
What are the key properties of 4-[3-chloro-5-(4-propyl-1,3-oxazol-5-yl)-2-pyridinyl]-N-(6-fluoro-1,3-benzothiazol-2-yl)-3,6-dihydro-2H-pyridine-1-carboxamide?
4-[3-chloro-5-(4-propyl-1,3-oxazol-5-yl)-2-pyridinyl]-N-(6-fluoro-1,3-benzothiazol-2-yl)-3,6-dihydro-2H-pyridine-1-carboxamide has a molecular weight of 497.98 g/mol, XLogP of 6.41, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-chloro-5-(4-propyl-1,3-oxazol-5-yl)-2-pyridinyl]-N-(6-fluoro-1,3-benzothiazol-2-yl)-3,6-dihydro-2H-pyridine-1-carboxamide is sourced from PubChem (CID 123399090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).