N-[4-[[3-chloro-2-[[phenyl(phosphanyl)methylidene]amino]-4-pyridinyl]oxy]-3-fluorophenyl]-5-(4-fluorophenyl)-4-oxo-1H-pyridine-3-carboxamide

C30H20ClF2N4O3P — CID 71023565

IUPACN-[4-[[3-chloro-2-[[phenyl(phosphanyl)methylidene]amino]-4-pyridinyl]oxy]-3-fluorophenyl]-5-(4-fluorophenyl)-4-oxo-1H-pyridine-3-carboxamide
SMILESO=C(Nc1ccc(Oc2ccnc(/N=C(\P)c3ccccc3)c2Cl)c(F)c1)c1c[nH]cc(-c2ccc(F)cc2)c1=O
InChIInChI=1S/C30H20ClF2N4O3P/c31-26-25(12-13-35-28(26)37-30(41)18-4-2-1-3-5-18)40-24-11-10-20(14-23(24)33)36-29(39)22-16-34-15-21(27(22)38)17-6-8-19(32)9-7-17/h1-16H,41H2,(H,34,38)(H,36,39)/b37-30-
InChIKeyYYPPFHYKVYHHML-ONQIKCEGSA-N
MW588.94 g/mol
LogP7.37
Rot. Bonds7

About N-[4-[[3-chloro-2-[[phenyl(phosphanyl)methylidene]amino]-4-pyridinyl]oxy]-3-fluorophenyl]-5-(4-fluorophenyl)-4-oxo-1H-pyridine-3-carboxamide

N-[4-[[3-chloro-2-[[phenyl(phosphanyl)methylidene]amino]-4-pyridinyl]oxy]-3-fluorophenyl]-5-(4-fluorophenyl)-4-oxo-1H-pyridine-3-carboxamide (PubChem CID 71023565) has the molecular formula C30H20ClF2N4O3P and a molecular weight of 588.94 g/mol. Its IUPAC name is N-[4-[[3-chloro-2-[[phenyl(phosphanyl)methylidene]amino]-4-pyridinyl]oxy]-3-fluorophenyl]-5-(4-fluorophenyl)-4-oxo-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[4-[[3-chloro-2-[[phenyl(phosphanyl)methylidene]amino]-4-pyridinyl]oxy]-3-fluorophenyl]-5-(4-fluorophenyl)-4-oxo-1H-pyridine-3-carboxamide
PubChem CID71023565
Molecular FormulaC30H20ClF2N4O3P
Molecular Weight588.94 g/mol
Exact Mass588.09
IUPAC NameN-[4-[[3-chloro-2-[[phenyl(phosphanyl)methylidene]amino]-4-pyridinyl]oxy]-3-fluorophenyl]-5-(4-fluorophenyl)-4-oxo-1H-pyridine-3-carboxamide
SMILESO=C(Nc1ccc(Oc2ccnc(/N=C(\P)c3ccccc3)c2Cl)c(F)c1)c1c[nH]cc(-c2ccc(F)cc2)c1=O
InChIInChI=1S/C30H20ClF2N4O3P/c31-26-25(12-13-35-28(26)37-30(41)18-4-2-1-3-5-18)40-24-11-10-20(14-23(24)33)36-29(39)22-16-34-15-21(27(22)38)17-6-8-19(32)9-7-17/h1-16H,41H2,(H,34,38)(H,36,39)/b37-30-
InChIKeyYYPPFHYKVYHHML-ONQIKCEGSA-N
XLogP7.37
TPSA96.44 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500588.94
LogP ≤ 57.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

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CID 86650690
5-(4-fluorophenyl)-N-(3-fluoro-4-spiro[3,4-dihydropyrido[3,2-b][1,4]oxazine-2,1'-cyclopropane]-8-yloxyphenyl)-4-oxo-1H-pyridine-3-carboxamide
CID 72949061
[3-[[4-[(2-amino-3-chloro-4-pyridinyl)oxy]-3-fluorophenyl]carbamoyl]-5-(4-fluorophenyl)-4-oxo-1-pyridinyl]methyl phosphate
CID 159266494
N-[3-fluoro-4-[[7-(2-morpholin-4-ylethylamino)-1,6-naphthyridin-4-yl]oxy]phenyl]-5-(4-fluorophenyl)-4-oxo-1H-pyridine-3-carboxamide
CID 155276643
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CID 169025743
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CID 68735331
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CID 155538576

Frequently Asked Questions

What is the IUPAC name of N-[4-[[3-chloro-2-[[phenyl(phosphanyl)methylidene]amino]-4-pyridinyl]oxy]-3-fluorophenyl]-5-(4-fluorophenyl)-4-oxo-1H-pyridine-3-carboxamide?
The IUPAC name of N-[4-[[3-chloro-2-[[phenyl(phosphanyl)methylidene]amino]-4-pyridinyl]oxy]-3-fluorophenyl]-5-(4-fluorophenyl)-4-oxo-1H-pyridine-3-carboxamide (CID 71023565) is N-[4-[[3-chloro-2-[[phenyl(phosphanyl)methylidene]amino]-4-pyridinyl]oxy]-3-fluorophenyl]-5-(4-fluorophenyl)-4-oxo-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-[4-[[3-chloro-2-[[phenyl(phosphanyl)methylidene]amino]-4-pyridinyl]oxy]-3-fluorophenyl]-5-(4-fluorophenyl)-4-oxo-1H-pyridine-3-carboxamide?
The canonical SMILES for N-[4-[[3-chloro-2-[[phenyl(phosphanyl)methylidene]amino]-4-pyridinyl]oxy]-3-fluorophenyl]-5-(4-fluorophenyl)-4-oxo-1H-pyridine-3-carboxamide is O=C(Nc1ccc(Oc2ccnc(/N=C(\P)c3ccccc3)c2Cl)c(F)c1)c1c[nH]cc(-c2ccc(F)cc2)c1=O.
What is the InChIKey of N-[4-[[3-chloro-2-[[phenyl(phosphanyl)methylidene]amino]-4-pyridinyl]oxy]-3-fluorophenyl]-5-(4-fluorophenyl)-4-oxo-1H-pyridine-3-carboxamide?
The InChIKey is YYPPFHYKVYHHML-ONQIKCEGSA-N. The full InChI is InChI=1S/C30H20ClF2N4O3P/c31-26-25(12-13-35-28(26)37-30(41)18-4-2-1-3-5-18)40-24-11-10-20(14-23(24)33)36-29(39)22-16-34-15-21(27(22)38)17-6-8-19(32)9-7-17/h1-16H,41H2,(H,34,38)(H,36,39)/b37-30-.
What are the key properties of N-[4-[[3-chloro-2-[[phenyl(phosphanyl)methylidene]amino]-4-pyridinyl]oxy]-3-fluorophenyl]-5-(4-fluorophenyl)-4-oxo-1H-pyridine-3-carboxamide?
N-[4-[[3-chloro-2-[[phenyl(phosphanyl)methylidene]amino]-4-pyridinyl]oxy]-3-fluorophenyl]-5-(4-fluorophenyl)-4-oxo-1H-pyridine-3-carboxamide has a molecular weight of 588.94 g/mol, XLogP of 7.37, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[3-chloro-2-[[phenyl(phosphanyl)methylidene]amino]-4-pyridinyl]oxy]-3-fluorophenyl]-5-(4-fluorophenyl)-4-oxo-1H-pyridine-3-carboxamide is sourced from PubChem (CID 71023565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).