5-[2-[4-[5-chloro-2-[4-(difluoromethyl)triazol-1-yl]phenyl]-5-methoxy-2-oxo-1-pyridinyl]pentanoylamino]-N-methylpyridine-2-carboxamide

C27H26ClF2N7O4 — CID 135204627

IUPAC5-[2-[4-[5-chloro-2-[4-(difluoromethyl)triazol-1-yl]phenyl]-5-methoxy-2-oxo-1-pyridinyl]pentanoylamino]-N-methylpyridine-2-carboxamide
SMILESCCCC(C(=O)Nc1ccc(C(=O)NC)nc1)n1cc(OC)c(-c2cc(Cl)ccc2-n2cc(C(F)F)nn2)cc1=O
InChIInChI=1S/C27H26ClF2N7O4/c1-4-5-22(27(40)33-16-7-8-19(32-12-16)26(39)31-2)36-14-23(41-3)18(11-24(36)38)17-10-15(28)6-9-21(17)37-13-20(25(29)30)34-35-37/h6-14,22,25H,4-5H2,1-3H3,(H,31,39)(H,33,40)
InChIKeyZZXQOEFXCPENDW-UHFFFAOYSA-N
MW586.00 g/mol
LogP4.43
Rot. Bonds10

About 5-[2-[4-[5-chloro-2-[4-(difluoromethyl)triazol-1-yl]phenyl]-5-methoxy-2-oxo-1-pyridinyl]pentanoylamino]-N-methylpyridine-2-carboxamide

5-[2-[4-[5-chloro-2-[4-(difluoromethyl)triazol-1-yl]phenyl]-5-methoxy-2-oxo-1-pyridinyl]pentanoylamino]-N-methylpyridine-2-carboxamide (PubChem CID 135204627) has the molecular formula C27H26ClF2N7O4 and a molecular weight of 586.00 g/mol. Its IUPAC name is 5-[2-[4-[5-chloro-2-[4-(difluoromethyl)triazol-1-yl]phenyl]-5-methoxy-2-oxo-1-pyridinyl]pentanoylamino]-N-methylpyridine-2-carboxamide.

Molecular Properties

Compound Name5-[2-[4-[5-chloro-2-[4-(difluoromethyl)triazol-1-yl]phenyl]-5-methoxy-2-oxo-1-pyridinyl]pentanoylamino]-N-methylpyridine-2-carboxamide
PubChem CID135204627
Molecular FormulaC27H26ClF2N7O4
Molecular Weight586.00 g/mol
Exact Mass585.17
IUPAC Name5-[2-[4-[5-chloro-2-[4-(difluoromethyl)triazol-1-yl]phenyl]-5-methoxy-2-oxo-1-pyridinyl]pentanoylamino]-N-methylpyridine-2-carboxamide
SMILESCCCC(C(=O)Nc1ccc(C(=O)NC)nc1)n1cc(OC)c(-c2cc(Cl)ccc2-n2cc(C(F)F)nn2)cc1=O
InChIInChI=1S/C27H26ClF2N7O4/c1-4-5-22(27(40)33-16-7-8-19(32-12-16)26(39)31-2)36-14-23(41-3)18(11-24(36)38)17-10-15(28)6-9-21(17)37-13-20(25(29)30)34-35-37/h6-14,22,25H,4-5H2,1-3H3,(H,31,39)(H,33,40)
InChIKeyZZXQOEFXCPENDW-UHFFFAOYSA-N
XLogP4.43
TPSA133.03 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds10
Heavy Atoms41
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500586.00
LogP ≤ 54.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 5-[2-[4-[5-chloro-2-[4-(difluoromethyl)triazol-1-yl]phenyl]-5-methoxy-2-oxo-1-pyridinyl]pentanoylamino]-N-methylpyridine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-[2-[4-[5-chloro-2-[4-(difluoromethyl)triazol-1-yl]phenyl]-5-methoxy-2-oxo-1-pyridinyl]pentanoylamino]-N-methylpyridine-2-carboxamide?
The IUPAC name of 5-[2-[4-[5-chloro-2-[4-(difluoromethyl)triazol-1-yl]phenyl]-5-methoxy-2-oxo-1-pyridinyl]pentanoylamino]-N-methylpyridine-2-carboxamide (CID 135204627) is 5-[2-[4-[5-chloro-2-[4-(difluoromethyl)triazol-1-yl]phenyl]-5-methoxy-2-oxo-1-pyridinyl]pentanoylamino]-N-methylpyridine-2-carboxamide.
What is the SMILES notation for 5-[2-[4-[5-chloro-2-[4-(difluoromethyl)triazol-1-yl]phenyl]-5-methoxy-2-oxo-1-pyridinyl]pentanoylamino]-N-methylpyridine-2-carboxamide?
The canonical SMILES for 5-[2-[4-[5-chloro-2-[4-(difluoromethyl)triazol-1-yl]phenyl]-5-methoxy-2-oxo-1-pyridinyl]pentanoylamino]-N-methylpyridine-2-carboxamide is CCCC(C(=O)Nc1ccc(C(=O)NC)nc1)n1cc(OC)c(-c2cc(Cl)ccc2-n2cc(C(F)F)nn2)cc1=O.
What is the InChIKey of 5-[2-[4-[5-chloro-2-[4-(difluoromethyl)triazol-1-yl]phenyl]-5-methoxy-2-oxo-1-pyridinyl]pentanoylamino]-N-methylpyridine-2-carboxamide?
The InChIKey is ZZXQOEFXCPENDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26ClF2N7O4/c1-4-5-22(27(40)33-16-7-8-19(32-12-16)26(39)31-2)36-14-23(41-3)18(11-24(36)38)17-10-15(28)6-9-21(17)37-13-20(25(29)30)34-35-37/h6-14,22,25H,4-5H2,1-3H3,(H,31,39)(H,33,40).
What are the key properties of 5-[2-[4-[5-chloro-2-[4-(difluoromethyl)triazol-1-yl]phenyl]-5-methoxy-2-oxo-1-pyridinyl]pentanoylamino]-N-methylpyridine-2-carboxamide?
5-[2-[4-[5-chloro-2-[4-(difluoromethyl)triazol-1-yl]phenyl]-5-methoxy-2-oxo-1-pyridinyl]pentanoylamino]-N-methylpyridine-2-carboxamide has a molecular weight of 586.00 g/mol, XLogP of 4.43, 10 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-[4-(difluoromethyl)triazol-1-yl]phenyl]-5-methoxy-2-oxo-1-pyridinyl]pentanoylamino]-N-methylpyridine-2-carboxamide is sourced from PubChem (CID 135204627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).