5-[[2-[4-[5-chloro-2-(trifluoromethyl)phenyl]-5-methoxy-2-oxo-1-pyridinyl]-3-(3-methyl-1,2-oxazol-5-yl)propanoyl]amino]pyridine-2-carboxamide

C26H21ClF3N5O5 — CID 118981582

IUPAC5-[[2-[4-[5-chloro-2-(trifluoromethyl)phenyl]-5-methoxy-2-oxo-1-pyridinyl]-3-(3-methyl-1,2-oxazol-5-yl)propanoyl]amino]pyridine-2-carboxamide
SMILESCOc1cn(C(Cc2cc(C)no2)C(=O)Nc2ccc(C(N)=O)nc2)c(=O)cc1-c1cc(Cl)ccc1C(F)(F)F
InChIInChI=1S/C26H21ClF3N5O5/c1-13-7-16(40-34-13)9-21(25(38)33-15-4-6-20(24(31)37)32-11-15)35-12-22(39-2)18(10-23(35)36)17-8-14(27)3-5-19(17)26(28,29)30/h3-8,10-12,21H,9H2,1-2H3,(H2,31,37)(H,33,38)
InChIKeyKIQQVOVNDQHPJV-UHFFFAOYSA-N
MW575.93 g/mol
LogP4.41
Rot. Bonds8

About 5-[[2-[4-[5-chloro-2-(trifluoromethyl)phenyl]-5-methoxy-2-oxo-1-pyridinyl]-3-(3-methyl-1,2-oxazol-5-yl)propanoyl]amino]pyridine-2-carboxamide

5-[[2-[4-[5-chloro-2-(trifluoromethyl)phenyl]-5-methoxy-2-oxo-1-pyridinyl]-3-(3-methyl-1,2-oxazol-5-yl)propanoyl]amino]pyridine-2-carboxamide (PubChem CID 118981582) has the molecular formula C26H21ClF3N5O5 and a molecular weight of 575.93 g/mol. Its IUPAC name is 5-[[2-[4-[5-chloro-2-(trifluoromethyl)phenyl]-5-methoxy-2-oxo-1-pyridinyl]-3-(3-methyl-1,2-oxazol-5-yl)propanoyl]amino]pyridine-2-carboxamide.

Molecular Properties

Compound Name5-[[2-[4-[5-chloro-2-(trifluoromethyl)phenyl]-5-methoxy-2-oxo-1-pyridinyl]-3-(3-methyl-1,2-oxazol-5-yl)propanoyl]amino]pyridine-2-carboxamide
PubChem CID118981582
Molecular FormulaC26H21ClF3N5O5
Molecular Weight575.93 g/mol
Exact Mass575.12
IUPAC Name5-[[2-[4-[5-chloro-2-(trifluoromethyl)phenyl]-5-methoxy-2-oxo-1-pyridinyl]-3-(3-methyl-1,2-oxazol-5-yl)propanoyl]amino]pyridine-2-carboxamide
SMILESCOc1cn(C(Cc2cc(C)no2)C(=O)Nc2ccc(C(N)=O)nc2)c(=O)cc1-c1cc(Cl)ccc1C(F)(F)F
InChIInChI=1S/C26H21ClF3N5O5/c1-13-7-16(40-34-13)9-21(25(38)33-15-4-6-20(24(31)37)32-11-15)35-12-22(39-2)18(10-23(35)36)17-8-14(27)3-5-19(17)26(28,29)30/h3-8,10-12,21H,9H2,1-2H3,(H2,31,37)(H,33,38)
InChIKeyKIQQVOVNDQHPJV-UHFFFAOYSA-N
XLogP4.41
TPSA142.34 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500575.93
LogP ≤ 54.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5-[[2-[4-[5-chloro-2-(trifluoromethyl)phenyl]-5-methoxy-2-oxo-1-pyridinyl]-3-(3-methyl-1,2-oxazol-5-yl)propanoyl]amino]pyridine-2-carboxamide?
The IUPAC name of 5-[[2-[4-[5-chloro-2-(trifluoromethyl)phenyl]-5-methoxy-2-oxo-1-pyridinyl]-3-(3-methyl-1,2-oxazol-5-yl)propanoyl]amino]pyridine-2-carboxamide (CID 118981582) is 5-[[2-[4-[5-chloro-2-(trifluoromethyl)phenyl]-5-methoxy-2-oxo-1-pyridinyl]-3-(3-methyl-1,2-oxazol-5-yl)propanoyl]amino]pyridine-2-carboxamide.
What is the SMILES notation for 5-[[2-[4-[5-chloro-2-(trifluoromethyl)phenyl]-5-methoxy-2-oxo-1-pyridinyl]-3-(3-methyl-1,2-oxazol-5-yl)propanoyl]amino]pyridine-2-carboxamide?
The canonical SMILES for 5-[[2-[4-[5-chloro-2-(trifluoromethyl)phenyl]-5-methoxy-2-oxo-1-pyridinyl]-3-(3-methyl-1,2-oxazol-5-yl)propanoyl]amino]pyridine-2-carboxamide is COc1cn(C(Cc2cc(C)no2)C(=O)Nc2ccc(C(N)=O)nc2)c(=O)cc1-c1cc(Cl)ccc1C(F)(F)F.
What is the InChIKey of 5-[[2-[4-[5-chloro-2-(trifluoromethyl)phenyl]-5-methoxy-2-oxo-1-pyridinyl]-3-(3-methyl-1,2-oxazol-5-yl)propanoyl]amino]pyridine-2-carboxamide?
The InChIKey is KIQQVOVNDQHPJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21ClF3N5O5/c1-13-7-16(40-34-13)9-21(25(38)33-15-4-6-20(24(31)37)32-11-15)35-12-22(39-2)18(10-23(35)36)17-8-14(27)3-5-19(17)26(28,29)30/h3-8,10-12,21H,9H2,1-2H3,(H2,31,37)(H,33,38).
What are the key properties of 5-[[2-[4-[5-chloro-2-(trifluoromethyl)phenyl]-5-methoxy-2-oxo-1-pyridinyl]-3-(3-methyl-1,2-oxazol-5-yl)propanoyl]amino]pyridine-2-carboxamide?
5-[[2-[4-[5-chloro-2-(trifluoromethyl)phenyl]-5-methoxy-2-oxo-1-pyridinyl]-3-(3-methyl-1,2-oxazol-5-yl)propanoyl]amino]pyridine-2-carboxamide has a molecular weight of 575.93 g/mol, XLogP of 4.41, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-[4-[5-chloro-2-(trifluoromethyl)phenyl]-5-methoxy-2-oxo-1-pyridinyl]-3-(3-methyl-1,2-oxazol-5-yl)propanoyl]amino]pyridine-2-carboxamide is sourced from PubChem (CID 118981582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).