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

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Related Compounds

Asundexian
CID 135206011
US10421742, Example 163
CID 135205521
US10421742, Example 237
CID 135205533
US10421742, Example 240
CID 135205642
US10421742, Example 242
CID 135205798
US10421742, Example 251
CID 135205940
US10421742, Example 241
CID 135205975
US10421742, Example 161
CID 135205281
US10421742, Example 202
CID 135205777
US10421742, Example 182
CID 135205866
US10421742, Example 142
CID 135204833
US10421742, Example 239
CID 135205033

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).