5-[2-[4-[5-chloro-2-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]phenyl]-5-methoxy-2-oxo-1-pyridinyl]butanoylamino]pyridine-2-carboxamide

C25H21ClF2N6O4S — CID 135205370

IUPAC5-[2-[4-[5-chloro-2-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]phenyl]-5-methoxy-2-oxo-1-pyridinyl]butanoylamino]pyridine-2-carboxamide
SMILESCCC(C(=O)Nc1ccc(C(N)=O)nc1)n1cc(OC)c(-c2cc(Cl)ccc2-c2nnc(C(F)F)s2)cc1=O
InChIInChI=1S/C25H21ClF2N6O4S/c1-3-18(23(37)31-13-5-7-17(22(29)36)30-10-13)34-11-19(38-2)16(9-20(34)35)15-8-12(26)4-6-14(15)24-32-33-25(39-24)21(27)28/h4-11,18,21H,3H2,1-2H3,(H2,29,36)(H,31,37)
InChIKeyUMNQYPPSVMIHGW-UHFFFAOYSA-N
MW575.00 g/mol
LogP4.72
Rot. Bonds9

About 5-[2-[4-[5-chloro-2-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]phenyl]-5-methoxy-2-oxo-1-pyridinyl]butanoylamino]pyridine-2-carboxamide

5-[2-[4-[5-chloro-2-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]phenyl]-5-methoxy-2-oxo-1-pyridinyl]butanoylamino]pyridine-2-carboxamide (PubChem CID 135205370) has the molecular formula C25H21ClF2N6O4S and a molecular weight of 575.00 g/mol. Its IUPAC name is 5-[2-[4-[5-chloro-2-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]phenyl]-5-methoxy-2-oxo-1-pyridinyl]butanoylamino]pyridine-2-carboxamide.

Molecular Properties

Compound Name5-[2-[4-[5-chloro-2-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]phenyl]-5-methoxy-2-oxo-1-pyridinyl]butanoylamino]pyridine-2-carboxamide
PubChem CID135205370
Molecular FormulaC25H21ClF2N6O4S
Molecular Weight575.00 g/mol
Exact Mass574.10
IUPAC Name5-[2-[4-[5-chloro-2-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]phenyl]-5-methoxy-2-oxo-1-pyridinyl]butanoylamino]pyridine-2-carboxamide
SMILESCCC(C(=O)Nc1ccc(C(N)=O)nc1)n1cc(OC)c(-c2cc(Cl)ccc2-c2nnc(C(F)F)s2)cc1=O
InChIInChI=1S/C25H21ClF2N6O4S/c1-3-18(23(37)31-13-5-7-17(22(29)36)30-10-13)34-11-19(38-2)16(9-20(34)35)15-8-12(26)4-6-14(15)24-32-33-25(39-24)21(27)28/h4-11,18,21H,3H2,1-2H3,(H2,29,36)(H,31,37)
InChIKeyUMNQYPPSVMIHGW-UHFFFAOYSA-N
XLogP4.72
TPSA142.09 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500575.00
LogP ≤ 54.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 5-[2-[4-[5-chloro-2-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]phenyl]-5-methoxy-2-oxo-1-pyridinyl]butanoylamino]pyridine-2-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-[2-[4-[5-chloro-2-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]phenyl]-5-methoxy-2-oxo-1-pyridinyl]butanoylamino]pyridine-2-carboxamide?
The IUPAC name of 5-[2-[4-[5-chloro-2-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]phenyl]-5-methoxy-2-oxo-1-pyridinyl]butanoylamino]pyridine-2-carboxamide (CID 135205370) is 5-[2-[4-[5-chloro-2-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]phenyl]-5-methoxy-2-oxo-1-pyridinyl]butanoylamino]pyridine-2-carboxamide.
What is the SMILES notation for 5-[2-[4-[5-chloro-2-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]phenyl]-5-methoxy-2-oxo-1-pyridinyl]butanoylamino]pyridine-2-carboxamide?
The canonical SMILES for 5-[2-[4-[5-chloro-2-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]phenyl]-5-methoxy-2-oxo-1-pyridinyl]butanoylamino]pyridine-2-carboxamide is CCC(C(=O)Nc1ccc(C(N)=O)nc1)n1cc(OC)c(-c2cc(Cl)ccc2-c2nnc(C(F)F)s2)cc1=O.
What is the InChIKey of 5-[2-[4-[5-chloro-2-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]phenyl]-5-methoxy-2-oxo-1-pyridinyl]butanoylamino]pyridine-2-carboxamide?
The InChIKey is UMNQYPPSVMIHGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21ClF2N6O4S/c1-3-18(23(37)31-13-5-7-17(22(29)36)30-10-13)34-11-19(38-2)16(9-20(34)35)15-8-12(26)4-6-14(15)24-32-33-25(39-24)21(27)28/h4-11,18,21H,3H2,1-2H3,(H2,29,36)(H,31,37).
What are the key properties of 5-[2-[4-[5-chloro-2-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]phenyl]-5-methoxy-2-oxo-1-pyridinyl]butanoylamino]pyridine-2-carboxamide?
5-[2-[4-[5-chloro-2-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]phenyl]-5-methoxy-2-oxo-1-pyridinyl]butanoylamino]pyridine-2-carboxamide has a molecular weight of 575.00 g/mol, XLogP of 4.72, 9 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[4-[5-chloro-2-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]phenyl]-5-methoxy-2-oxo-1-pyridinyl]butanoylamino]pyridine-2-carboxamide is sourced from PubChem (CID 135205370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).