4-amino-N-[(S)-[3-fluoro-4-(fluoromethoxy)phenyl]-(3-fluoro-2-pyridinyl)methyl]-5-hydroxypyridine-2-carboxamide

C19H15F3N4O3 — CID 90225826

IUPAC4-amino-N-[(S)-[3-fluoro-4-(fluoromethoxy)phenyl]-(3-fluoro-2-pyridinyl)methyl]-5-hydroxypyridine-2-carboxamide
SMILESNc1cc(C(=O)N[C@@H](c2ccc(OCF)c(F)c2)c2ncccc2F)ncc1O
InChIInChI=1S/C19H15F3N4O3/c20-9-29-16-4-3-10(6-12(16)22)17(18-11(21)2-1-5-24-18)26-19(28)14-7-13(23)15(27)8-25-14/h1-8,17,27H,9H2,(H2,23,25)(H,26,28)/t17-/m0/s1
InChIKeyOKLLFYKWMGBGMJ-KRWDZBQOSA-N
MW404.35 g/mol
LogP2.87
Rot. Bonds6

About 4-amino-N-[(S)-[3-fluoro-4-(fluoromethoxy)phenyl]-(3-fluoro-2-pyridinyl)methyl]-5-hydroxypyridine-2-carboxamide

4-amino-N-[(S)-[3-fluoro-4-(fluoromethoxy)phenyl]-(3-fluoro-2-pyridinyl)methyl]-5-hydroxypyridine-2-carboxamide (PubChem CID 90225826) has the molecular formula C19H15F3N4O3 and a molecular weight of 404.35 g/mol. Its IUPAC name is 4-amino-N-[(S)-[3-fluoro-4-(fluoromethoxy)phenyl]-(3-fluoro-2-pyridinyl)methyl]-5-hydroxypyridine-2-carboxamide.

Molecular Properties

Compound Name4-amino-N-[(S)-[3-fluoro-4-(fluoromethoxy)phenyl]-(3-fluoro-2-pyridinyl)methyl]-5-hydroxypyridine-2-carboxamide
PubChem CID90225826
Molecular FormulaC19H15F3N4O3
Molecular Weight404.35 g/mol
Exact Mass404.11
IUPAC Name4-amino-N-[(S)-[3-fluoro-4-(fluoromethoxy)phenyl]-(3-fluoro-2-pyridinyl)methyl]-5-hydroxypyridine-2-carboxamide
SMILESNc1cc(C(=O)N[C@@H](c2ccc(OCF)c(F)c2)c2ncccc2F)ncc1O
InChIInChI=1S/C19H15F3N4O3/c20-9-29-16-4-3-10(6-12(16)22)17(18-11(21)2-1-5-24-18)26-19(28)14-7-13(23)15(27)8-25-14/h1-8,17,27H,9H2,(H2,23,25)(H,26,28)/t17-/m0/s1
InChIKeyOKLLFYKWMGBGMJ-KRWDZBQOSA-N
XLogP2.87
TPSA110.36 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.35
LogP ≤ 52.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[(S)-[3-fluoro-4-(fluoromethoxy)phenyl]-(3-fluoro-2-pyridinyl)methyl]-5-hydroxypyridine-2-carboxamide?
The IUPAC name of 4-amino-N-[(S)-[3-fluoro-4-(fluoromethoxy)phenyl]-(3-fluoro-2-pyridinyl)methyl]-5-hydroxypyridine-2-carboxamide (CID 90225826) is 4-amino-N-[(S)-[3-fluoro-4-(fluoromethoxy)phenyl]-(3-fluoro-2-pyridinyl)methyl]-5-hydroxypyridine-2-carboxamide.
What is the SMILES notation for 4-amino-N-[(S)-[3-fluoro-4-(fluoromethoxy)phenyl]-(3-fluoro-2-pyridinyl)methyl]-5-hydroxypyridine-2-carboxamide?
The canonical SMILES for 4-amino-N-[(S)-[3-fluoro-4-(fluoromethoxy)phenyl]-(3-fluoro-2-pyridinyl)methyl]-5-hydroxypyridine-2-carboxamide is Nc1cc(C(=O)N[C@@H](c2ccc(OCF)c(F)c2)c2ncccc2F)ncc1O.
What is the InChIKey of 4-amino-N-[(S)-[3-fluoro-4-(fluoromethoxy)phenyl]-(3-fluoro-2-pyridinyl)methyl]-5-hydroxypyridine-2-carboxamide?
The InChIKey is OKLLFYKWMGBGMJ-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H15F3N4O3/c20-9-29-16-4-3-10(6-12(16)22)17(18-11(21)2-1-5-24-18)26-19(28)14-7-13(23)15(27)8-25-14/h1-8,17,27H,9H2,(H2,23,25)(H,26,28)/t17-/m0/s1.
What are the key properties of 4-amino-N-[(S)-[3-fluoro-4-(fluoromethoxy)phenyl]-(3-fluoro-2-pyridinyl)methyl]-5-hydroxypyridine-2-carboxamide?
4-amino-N-[(S)-[3-fluoro-4-(fluoromethoxy)phenyl]-(3-fluoro-2-pyridinyl)methyl]-5-hydroxypyridine-2-carboxamide has a molecular weight of 404.35 g/mol, XLogP of 2.87, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[(S)-[3-fluoro-4-(fluoromethoxy)phenyl]-(3-fluoro-2-pyridinyl)methyl]-5-hydroxypyridine-2-carboxamide is sourced from PubChem (CID 90225826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).