N-[(R)-[3-fluoro-4-(fluoromethoxy)phenyl]-(3-fluoro-2-pyridinyl)methyl]-6-oxo-1H-pyridine-3-carboxamide

C19H14F3N3O3 — CID 90124837

IUPACN-[(R)-[3-fluoro-4-(fluoromethoxy)phenyl]-(3-fluoro-2-pyridinyl)methyl]-6-oxo-1H-pyridine-3-carboxamide
SMILESO=C(N[C@H](c1ccc(OCF)c(F)c1)c1ncccc1F)c1ccc(=O)[nH]c1
InChIInChI=1S/C19H14F3N3O3/c20-10-28-15-5-3-11(8-14(15)22)17(18-13(21)2-1-7-23-18)25-19(27)12-4-6-16(26)24-9-12/h1-9,17H,10H2,(H,24,26)(H,25,27)/t17-/m1/s1
InChIKeyYDSJXUGRSXVSJR-QGZVFWFLSA-N
MW389.33 g/mol
LogP2.87
Rot. Bonds6

About N-[(R)-[3-fluoro-4-(fluoromethoxy)phenyl]-(3-fluoro-2-pyridinyl)methyl]-6-oxo-1H-pyridine-3-carboxamide

N-[(R)-[3-fluoro-4-(fluoromethoxy)phenyl]-(3-fluoro-2-pyridinyl)methyl]-6-oxo-1H-pyridine-3-carboxamide (PubChem CID 90124837) has the molecular formula C19H14F3N3O3 and a molecular weight of 389.33 g/mol. Its IUPAC name is N-[(R)-[3-fluoro-4-(fluoromethoxy)phenyl]-(3-fluoro-2-pyridinyl)methyl]-6-oxo-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(R)-[3-fluoro-4-(fluoromethoxy)phenyl]-(3-fluoro-2-pyridinyl)methyl]-6-oxo-1H-pyridine-3-carboxamide
PubChem CID90124837
Molecular FormulaC19H14F3N3O3
Molecular Weight389.33 g/mol
Exact Mass389.10
IUPAC NameN-[(R)-[3-fluoro-4-(fluoromethoxy)phenyl]-(3-fluoro-2-pyridinyl)methyl]-6-oxo-1H-pyridine-3-carboxamide
SMILESO=C(N[C@H](c1ccc(OCF)c(F)c1)c1ncccc1F)c1ccc(=O)[nH]c1
InChIInChI=1S/C19H14F3N3O3/c20-10-28-15-5-3-11(8-14(15)22)17(18-13(21)2-1-7-23-18)25-19(27)12-4-6-16(26)24-9-12/h1-9,17H,10H2,(H,24,26)(H,25,27)/t17-/m1/s1
InChIKeyYDSJXUGRSXVSJR-QGZVFWFLSA-N
XLogP2.87
TPSA84.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.33
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(R)-[3-fluoro-4-(fluoromethoxy)phenyl]-(3-fluoro-2-pyridinyl)methyl]-6-oxo-1H-pyridine-3-carboxamide?
The IUPAC name of N-[(R)-[3-fluoro-4-(fluoromethoxy)phenyl]-(3-fluoro-2-pyridinyl)methyl]-6-oxo-1H-pyridine-3-carboxamide (CID 90124837) is N-[(R)-[3-fluoro-4-(fluoromethoxy)phenyl]-(3-fluoro-2-pyridinyl)methyl]-6-oxo-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-[(R)-[3-fluoro-4-(fluoromethoxy)phenyl]-(3-fluoro-2-pyridinyl)methyl]-6-oxo-1H-pyridine-3-carboxamide?
The canonical SMILES for N-[(R)-[3-fluoro-4-(fluoromethoxy)phenyl]-(3-fluoro-2-pyridinyl)methyl]-6-oxo-1H-pyridine-3-carboxamide is O=C(N[C@H](c1ccc(OCF)c(F)c1)c1ncccc1F)c1ccc(=O)[nH]c1.
What is the InChIKey of N-[(R)-[3-fluoro-4-(fluoromethoxy)phenyl]-(3-fluoro-2-pyridinyl)methyl]-6-oxo-1H-pyridine-3-carboxamide?
The InChIKey is YDSJXUGRSXVSJR-QGZVFWFLSA-N. The full InChI is InChI=1S/C19H14F3N3O3/c20-10-28-15-5-3-11(8-14(15)22)17(18-13(21)2-1-7-23-18)25-19(27)12-4-6-16(26)24-9-12/h1-9,17H,10H2,(H,24,26)(H,25,27)/t17-/m1/s1.
What are the key properties of N-[(R)-[3-fluoro-4-(fluoromethoxy)phenyl]-(3-fluoro-2-pyridinyl)methyl]-6-oxo-1H-pyridine-3-carboxamide?
N-[(R)-[3-fluoro-4-(fluoromethoxy)phenyl]-(3-fluoro-2-pyridinyl)methyl]-6-oxo-1H-pyridine-3-carboxamide has a molecular weight of 389.33 g/mol, XLogP of 2.87, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(R)-[3-fluoro-4-(fluoromethoxy)phenyl]-(3-fluoro-2-pyridinyl)methyl]-6-oxo-1H-pyridine-3-carboxamide is sourced from PubChem (CID 90124837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).