N-[5-[4-chloro-1-(1,3-thiazol-2-yl)-3,6-dihydro-2H-pyridin-5-yl]-2-pyridinyl]-2,4-difluorobenzamide

C20H15ClF2N4OS — CID 59785791

IUPACN-[5-[4-chloro-1-(1,3-thiazol-2-yl)-3,6-dihydro-2H-pyridin-5-yl]-2-pyridinyl]-2,4-difluorobenzamide
SMILESO=C(Nc1ccc(C2=C(Cl)CCN(c3nccs3)C2)cn1)c1ccc(F)cc1F
InChIInChI=1S/C20H15ClF2N4OS/c21-16-5-7-27(20-24-6-8-29-20)11-15(16)12-1-4-18(25-10-12)26-19(28)14-3-2-13(22)9-17(14)23/h1-4,6,8-10H,5,7,11H2,(H,25,26,28)
InChIKeyFOERPXZUPBZSNC-UHFFFAOYSA-N
MW432.88 g/mol
LogP4.93
Rot. Bonds4

About N-[5-[4-chloro-1-(1,3-thiazol-2-yl)-3,6-dihydro-2H-pyridin-5-yl]-2-pyridinyl]-2,4-difluorobenzamide

N-[5-[4-chloro-1-(1,3-thiazol-2-yl)-3,6-dihydro-2H-pyridin-5-yl]-2-pyridinyl]-2,4-difluorobenzamide (PubChem CID 59785791) has the molecular formula C20H15ClF2N4OS and a molecular weight of 432.88 g/mol. Its IUPAC name is N-[5-[4-chloro-1-(1,3-thiazol-2-yl)-3,6-dihydro-2H-pyridin-5-yl]-2-pyridinyl]-2,4-difluorobenzamide.

Molecular Properties

Compound NameN-[5-[4-chloro-1-(1,3-thiazol-2-yl)-3,6-dihydro-2H-pyridin-5-yl]-2-pyridinyl]-2,4-difluorobenzamide
PubChem CID59785791
Molecular FormulaC20H15ClF2N4OS
Molecular Weight432.88 g/mol
Exact Mass432.06
IUPAC NameN-[5-[4-chloro-1-(1,3-thiazol-2-yl)-3,6-dihydro-2H-pyridin-5-yl]-2-pyridinyl]-2,4-difluorobenzamide
SMILESO=C(Nc1ccc(C2=C(Cl)CCN(c3nccs3)C2)cn1)c1ccc(F)cc1F
InChIInChI=1S/C20H15ClF2N4OS/c21-16-5-7-27(20-24-6-8-29-20)11-15(16)12-1-4-18(25-10-12)26-19(28)14-3-2-13(22)9-17(14)23/h1-4,6,8-10H,5,7,11H2,(H,25,26,28)
InChIKeyFOERPXZUPBZSNC-UHFFFAOYSA-N
XLogP4.93
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.88
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[5-[4-chloro-1-(1,3-thiazol-2-yl)-3,6-dihydro-2H-pyridin-5-yl]-2-pyridinyl]-2,4-difluorobenzamide?
The IUPAC name of N-[5-[4-chloro-1-(1,3-thiazol-2-yl)-3,6-dihydro-2H-pyridin-5-yl]-2-pyridinyl]-2,4-difluorobenzamide (CID 59785791) is N-[5-[4-chloro-1-(1,3-thiazol-2-yl)-3,6-dihydro-2H-pyridin-5-yl]-2-pyridinyl]-2,4-difluorobenzamide.
What is the SMILES notation for N-[5-[4-chloro-1-(1,3-thiazol-2-yl)-3,6-dihydro-2H-pyridin-5-yl]-2-pyridinyl]-2,4-difluorobenzamide?
The canonical SMILES for N-[5-[4-chloro-1-(1,3-thiazol-2-yl)-3,6-dihydro-2H-pyridin-5-yl]-2-pyridinyl]-2,4-difluorobenzamide is O=C(Nc1ccc(C2=C(Cl)CCN(c3nccs3)C2)cn1)c1ccc(F)cc1F.
What is the InChIKey of N-[5-[4-chloro-1-(1,3-thiazol-2-yl)-3,6-dihydro-2H-pyridin-5-yl]-2-pyridinyl]-2,4-difluorobenzamide?
The InChIKey is FOERPXZUPBZSNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15ClF2N4OS/c21-16-5-7-27(20-24-6-8-29-20)11-15(16)12-1-4-18(25-10-12)26-19(28)14-3-2-13(22)9-17(14)23/h1-4,6,8-10H,5,7,11H2,(H,25,26,28).
What are the key properties of N-[5-[4-chloro-1-(1,3-thiazol-2-yl)-3,6-dihydro-2H-pyridin-5-yl]-2-pyridinyl]-2,4-difluorobenzamide?
N-[5-[4-chloro-1-(1,3-thiazol-2-yl)-3,6-dihydro-2H-pyridin-5-yl]-2-pyridinyl]-2,4-difluorobenzamide has a molecular weight of 432.88 g/mol, XLogP of 4.93, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[4-chloro-1-(1,3-thiazol-2-yl)-3,6-dihydro-2H-pyridin-5-yl]-2-pyridinyl]-2,4-difluorobenzamide is sourced from PubChem (CID 59785791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).