N-[(S)-[3-fluoro-4-(fluoromethoxy)phenyl]-(3-fluoro-2-pyridinyl)methyl]-1-methyl-6-oxopyridine-3-carboxamide

C20H16F3N3O3 — CID 90124768

IUPACN-[(S)-[3-fluoro-4-(fluoromethoxy)phenyl]-(3-fluoro-2-pyridinyl)methyl]-1-methyl-6-oxopyridine-3-carboxamide
SMILESCn1cc(C(=O)N[C@@H](c2ccc(OCF)c(F)c2)c2ncccc2F)ccc1=O
InChIInChI=1S/C20H16F3N3O3/c1-26-10-13(5-7-17(26)27)20(28)25-18(19-14(22)3-2-8-24-19)12-4-6-16(29-11-21)15(23)9-12/h2-10,18H,11H2,1H3,(H,25,28)/t18-/m0/s1
InChIKeyGANKOMWTSWIANK-SFHVURJKSA-N
MW403.36 g/mol
LogP2.88
Rot. Bonds6

About N-[(S)-[3-fluoro-4-(fluoromethoxy)phenyl]-(3-fluoro-2-pyridinyl)methyl]-1-methyl-6-oxopyridine-3-carboxamide

N-[(S)-[3-fluoro-4-(fluoromethoxy)phenyl]-(3-fluoro-2-pyridinyl)methyl]-1-methyl-6-oxopyridine-3-carboxamide (PubChem CID 90124768) has the molecular formula C20H16F3N3O3 and a molecular weight of 403.36 g/mol. Its IUPAC name is N-[(S)-[3-fluoro-4-(fluoromethoxy)phenyl]-(3-fluoro-2-pyridinyl)methyl]-1-methyl-6-oxopyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(S)-[3-fluoro-4-(fluoromethoxy)phenyl]-(3-fluoro-2-pyridinyl)methyl]-1-methyl-6-oxopyridine-3-carboxamide
PubChem CID90124768
Molecular FormulaC20H16F3N3O3
Molecular Weight403.36 g/mol
Exact Mass403.11
IUPAC NameN-[(S)-[3-fluoro-4-(fluoromethoxy)phenyl]-(3-fluoro-2-pyridinyl)methyl]-1-methyl-6-oxopyridine-3-carboxamide
SMILESCn1cc(C(=O)N[C@@H](c2ccc(OCF)c(F)c2)c2ncccc2F)ccc1=O
InChIInChI=1S/C20H16F3N3O3/c1-26-10-13(5-7-17(26)27)20(28)25-18(19-14(22)3-2-8-24-19)12-4-6-16(29-11-21)15(23)9-12/h2-10,18H,11H2,1H3,(H,25,28)/t18-/m0/s1
InChIKeyGANKOMWTSWIANK-SFHVURJKSA-N
XLogP2.88
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.36
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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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
methyl 6-[[(S)-[3-fluoro-4-(fluoromethoxy)phenyl]-(3-fluoro-2-pyridinyl)methyl]carbamoyl]pyridine-3-carboxylate
CID 90124881
N-[(3-fluoro-2-pyridinyl)-[3-fluoro-4-(trifluoromethoxy)phenyl]methyl]-1-(2-hydroxypropyl)-6-oxopyridine-3-carboxamide
CID 78018918
N-[(S)-[3-fluoro-4-(fluoromethoxy)phenyl]-(3-fluoro-2-pyridinyl)methyl]-5-methoxy-6-oxo-1H-pyridine-2-carboxamide
CID 90124864
4-amino-N-[(S)-[3-fluoro-4-(fluoromethoxy)phenyl]-(3-fluoro-2-pyridinyl)methyl]-5-hydroxypyridine-2-carboxamide
CID 90225826
N-[(2-fluorophenyl)-[3-fluoro-4-(trifluoromethoxy)phenyl]methyl]-1-methyl-6-oxopyridine-3-carboxamide
CID 71144192
N-[(S)-[3-fluoro-4-(fluoromethoxy)phenyl]-(3-fluoro-2-pyridinyl)methyl]-2-oxo-1H-[1,3]oxazolo[5,4-b]pyridine-5-carboxamide
CID 90124875
N-[(S)-(3-bromo-2-pyridinyl)-[3-fluoro-4-(fluoromethoxy)phenyl]methyl]-2-oxo-3H-1,3-benzoxazole-5-carboxamide
CID 90124835
N-[(S)-[4-(fluoromethyl)phenyl]-(3-fluoro-2-pyridinyl)methyl]-1-methylbenzimidazole-5-carboxamide
CID 90225802
2-[5-[[(3-fluoro-2-pyridinyl)-[4-(trifluoromethyl)phenyl]methyl]carbamoyl]-2-oxo-1-pyridinyl]acetic acid
CID 71144576
carbamic acid;N-[(3-fluoro-2-pyridinyl)-[3-fluoro-4-(trifluoromethoxy)phenyl]methyl]-6-phenylmethoxypyridine-3-carboxamide
CID 71144384
N-[(3-fluoro-2-pyridinyl)-[3-fluoro-4-(trifluoromethoxy)phenyl]methyl]-6-oxo-1H-pyridazine-3-carboxamide
CID 71144369

Frequently Asked Questions

What is the IUPAC name of N-[(S)-[3-fluoro-4-(fluoromethoxy)phenyl]-(3-fluoro-2-pyridinyl)methyl]-1-methyl-6-oxopyridine-3-carboxamide?
The IUPAC name of N-[(S)-[3-fluoro-4-(fluoromethoxy)phenyl]-(3-fluoro-2-pyridinyl)methyl]-1-methyl-6-oxopyridine-3-carboxamide (CID 90124768) is N-[(S)-[3-fluoro-4-(fluoromethoxy)phenyl]-(3-fluoro-2-pyridinyl)methyl]-1-methyl-6-oxopyridine-3-carboxamide.
What is the SMILES notation for N-[(S)-[3-fluoro-4-(fluoromethoxy)phenyl]-(3-fluoro-2-pyridinyl)methyl]-1-methyl-6-oxopyridine-3-carboxamide?
The canonical SMILES for N-[(S)-[3-fluoro-4-(fluoromethoxy)phenyl]-(3-fluoro-2-pyridinyl)methyl]-1-methyl-6-oxopyridine-3-carboxamide is Cn1cc(C(=O)N[C@@H](c2ccc(OCF)c(F)c2)c2ncccc2F)ccc1=O.
What is the InChIKey of N-[(S)-[3-fluoro-4-(fluoromethoxy)phenyl]-(3-fluoro-2-pyridinyl)methyl]-1-methyl-6-oxopyridine-3-carboxamide?
The InChIKey is GANKOMWTSWIANK-SFHVURJKSA-N. The full InChI is InChI=1S/C20H16F3N3O3/c1-26-10-13(5-7-17(26)27)20(28)25-18(19-14(22)3-2-8-24-19)12-4-6-16(29-11-21)15(23)9-12/h2-10,18H,11H2,1H3,(H,25,28)/t18-/m0/s1.
What are the key properties of N-[(S)-[3-fluoro-4-(fluoromethoxy)phenyl]-(3-fluoro-2-pyridinyl)methyl]-1-methyl-6-oxopyridine-3-carboxamide?
N-[(S)-[3-fluoro-4-(fluoromethoxy)phenyl]-(3-fluoro-2-pyridinyl)methyl]-1-methyl-6-oxopyridine-3-carboxamide has a molecular weight of 403.36 g/mol, XLogP of 2.88, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(S)-[3-fluoro-4-(fluoromethoxy)phenyl]-(3-fluoro-2-pyridinyl)methyl]-1-methyl-6-oxopyridine-3-carboxamide is sourced from PubChem (CID 90124768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).