N-[[3-fluoro-4-(fluoromethoxy)phenyl]-(5-methyl-2-pyridinyl)methyl]-6-oxo-1H-pyridine-3-carboxamide

C20H17F2N3O3 — CID 90227655

IUPACN-[[3-fluoro-4-(fluoromethoxy)phenyl]-(5-methyl-2-pyridinyl)methyl]-6-oxo-1H-pyridine-3-carboxamide
SMILESCc1ccc(C(NC(=O)c2ccc(=O)[nH]c2)c2ccc(OCF)c(F)c2)nc1
InChIInChI=1S/C20H17F2N3O3/c1-12-2-5-16(23-9-12)19(13-3-6-17(28-11-21)15(22)8-13)25-20(27)14-4-7-18(26)24-10-14/h2-10,19H,11H2,1H3,(H,24,26)(H,25,27)
InChIKeyKRHKKRPUQFCIIG-UHFFFAOYSA-N
MW385.37 g/mol
LogP3.04
Rot. Bonds6

About N-[[3-fluoro-4-(fluoromethoxy)phenyl]-(5-methyl-2-pyridinyl)methyl]-6-oxo-1H-pyridine-3-carboxamide

N-[[3-fluoro-4-(fluoromethoxy)phenyl]-(5-methyl-2-pyridinyl)methyl]-6-oxo-1H-pyridine-3-carboxamide (PubChem CID 90227655) has the molecular formula C20H17F2N3O3 and a molecular weight of 385.37 g/mol. Its IUPAC name is N-[[3-fluoro-4-(fluoromethoxy)phenyl]-(5-methyl-2-pyridinyl)methyl]-6-oxo-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[[3-fluoro-4-(fluoromethoxy)phenyl]-(5-methyl-2-pyridinyl)methyl]-6-oxo-1H-pyridine-3-carboxamide
PubChem CID90227655
Molecular FormulaC20H17F2N3O3
Molecular Weight385.37 g/mol
Exact Mass385.12
IUPAC NameN-[[3-fluoro-4-(fluoromethoxy)phenyl]-(5-methyl-2-pyridinyl)methyl]-6-oxo-1H-pyridine-3-carboxamide
SMILESCc1ccc(C(NC(=O)c2ccc(=O)[nH]c2)c2ccc(OCF)c(F)c2)nc1
InChIInChI=1S/C20H17F2N3O3/c1-12-2-5-16(23-9-12)19(13-3-6-17(28-11-21)15(22)8-13)25-20(27)14-4-7-18(26)24-10-14/h2-10,19H,11H2,1H3,(H,24,26)(H,25,27)
InChIKeyKRHKKRPUQFCIIG-UHFFFAOYSA-N
XLogP3.04
TPSA84.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.37
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[[3-fluoro-4-(fluoromethoxy)phenyl]-(5-methyl-2-pyridinyl)methyl]-6-oxo-1H-pyridine-3-carboxamide with MolForge

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Related Compounds

N-[(R)-[3-fluoro-4-(fluoromethoxy)phenyl]-(3-fluoro-2-pyridinyl)methyl]-6-oxo-1H-pyridine-3-carboxamide
CID 90124837
[3-fluoro-4-(fluoromethoxy)phenyl]-(5-methyl-2-pyridinyl)methanamine
CID 90124799
N-[(S)-[3-fluoro-4-(fluoromethoxy)phenyl]-(3-fluoro-2-pyridinyl)methyl]-1-methyl-6-oxopyridine-3-carboxamide
CID 90124768
methyl 6-[[(S)-[3-fluoro-4-(fluoromethoxy)phenyl]-(3-fluoro-2-pyridinyl)methyl]carbamoyl]pyridine-3-carboxylate
CID 90124881
6-oxo-N-[(S)-phenyl(pyridin-2-yl)methyl]-1H-pyridine-3-carboxamide
CID 95568756
N-[(S)-[3-fluoro-4-(fluoromethoxy)phenyl]-(3-fluoro-2-pyridinyl)methyl]-5-methoxy-6-oxo-1H-pyridine-2-carboxamide
CID 90124864
6-oxo-N-[(S)-pyridin-2-yl-[4-(trifluoromethyl)phenyl]methyl]-1H-pyridine-3-carboxamide
CID 71144853
N-[(S)-(3-bromo-2-pyridinyl)-[3-fluoro-4-(fluoromethoxy)phenyl]methyl]-2-oxo-3H-1,3-benzoxazole-5-carboxamide
CID 90124835
N-[(S)-(5-chloro-2-pyridinyl)-(3,4-dichlorophenyl)methyl]-4-(2-hydroxyethoxy)-3-methylbenzamide
CID 130288596
N-[(S)-(5-chloro-2-pyridinyl)-(5-methyl-2-pyridinyl)methyl]-4-cyano-3-fluorobenzamide
CID 130288151
N-(2-fluoro-5-methylphenyl)-6-oxo-1H-pyridine-3-carboxamide
CID 28825950
3-chloro-N-[(5-chloro-2-pyridinyl)-(3,4-dichlorophenyl)methyl]-4-fluorobenzamide
CID 145056345

Frequently Asked Questions

What is the IUPAC name of N-[[3-fluoro-4-(fluoromethoxy)phenyl]-(5-methyl-2-pyridinyl)methyl]-6-oxo-1H-pyridine-3-carboxamide?
The IUPAC name of N-[[3-fluoro-4-(fluoromethoxy)phenyl]-(5-methyl-2-pyridinyl)methyl]-6-oxo-1H-pyridine-3-carboxamide (CID 90227655) is N-[[3-fluoro-4-(fluoromethoxy)phenyl]-(5-methyl-2-pyridinyl)methyl]-6-oxo-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-[[3-fluoro-4-(fluoromethoxy)phenyl]-(5-methyl-2-pyridinyl)methyl]-6-oxo-1H-pyridine-3-carboxamide?
The canonical SMILES for N-[[3-fluoro-4-(fluoromethoxy)phenyl]-(5-methyl-2-pyridinyl)methyl]-6-oxo-1H-pyridine-3-carboxamide is Cc1ccc(C(NC(=O)c2ccc(=O)[nH]c2)c2ccc(OCF)c(F)c2)nc1.
What is the InChIKey of N-[[3-fluoro-4-(fluoromethoxy)phenyl]-(5-methyl-2-pyridinyl)methyl]-6-oxo-1H-pyridine-3-carboxamide?
The InChIKey is KRHKKRPUQFCIIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17F2N3O3/c1-12-2-5-16(23-9-12)19(13-3-6-17(28-11-21)15(22)8-13)25-20(27)14-4-7-18(26)24-10-14/h2-10,19H,11H2,1H3,(H,24,26)(H,25,27).
What are the key properties of N-[[3-fluoro-4-(fluoromethoxy)phenyl]-(5-methyl-2-pyridinyl)methyl]-6-oxo-1H-pyridine-3-carboxamide?
N-[[3-fluoro-4-(fluoromethoxy)phenyl]-(5-methyl-2-pyridinyl)methyl]-6-oxo-1H-pyridine-3-carboxamide has a molecular weight of 385.37 g/mol, XLogP of 3.04, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-fluoro-4-(fluoromethoxy)phenyl]-(5-methyl-2-pyridinyl)methyl]-6-oxo-1H-pyridine-3-carboxamide is sourced from PubChem (CID 90227655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).