N-[4-[[2-(cyclopropanecarbonylamino)-4-pyridinyl]oxy]-2,3-dimethylphenyl]-5-(4-fluorophenyl)-4-oxo-1H-pyridine-3-carboxamide

C29H25FN4O4 — CID 175471955

IUPACN-[4-[[2-(cyclopropanecarbonylamino)-4-pyridinyl]oxy]-2,3-dimethylphenyl]-5-(4-fluorophenyl)-4-oxo-1H-pyridine-3-carboxamide
SMILESCc1c(NC(=O)c2c[nH]cc(-c3ccc(F)cc3)c2=O)ccc(Oc2ccnc(NC(=O)C3CC3)c2)c1C
InChIInChI=1S/C29H25FN4O4/c1-16-17(2)25(38-21-11-12-32-26(13-21)34-28(36)19-3-4-19)10-9-24(16)33-29(37)23-15-31-14-22(27(23)35)18-5-7-20(30)8-6-18/h5-15,19H,3-4H2,1-2H3,(H,31,35)(H,33,37)(H,32,34,36)
InChIKeyORNLHCBZGVNIDZ-UHFFFAOYSA-N
MW512.54 g/mol
LogP5.59
Rot. Bonds7

About N-[4-[[2-(cyclopropanecarbonylamino)-4-pyridinyl]oxy]-2,3-dimethylphenyl]-5-(4-fluorophenyl)-4-oxo-1H-pyridine-3-carboxamide

N-[4-[[2-(cyclopropanecarbonylamino)-4-pyridinyl]oxy]-2,3-dimethylphenyl]-5-(4-fluorophenyl)-4-oxo-1H-pyridine-3-carboxamide (PubChem CID 175471955) has the molecular formula C29H25FN4O4 and a molecular weight of 512.54 g/mol. Its IUPAC name is N-[4-[[2-(cyclopropanecarbonylamino)-4-pyridinyl]oxy]-2,3-dimethylphenyl]-5-(4-fluorophenyl)-4-oxo-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[4-[[2-(cyclopropanecarbonylamino)-4-pyridinyl]oxy]-2,3-dimethylphenyl]-5-(4-fluorophenyl)-4-oxo-1H-pyridine-3-carboxamide
PubChem CID175471955
Molecular FormulaC29H25FN4O4
Molecular Weight512.54 g/mol
Exact Mass512.19
IUPAC NameN-[4-[[2-(cyclopropanecarbonylamino)-4-pyridinyl]oxy]-2,3-dimethylphenyl]-5-(4-fluorophenyl)-4-oxo-1H-pyridine-3-carboxamide
SMILESCc1c(NC(=O)c2c[nH]cc(-c3ccc(F)cc3)c2=O)ccc(Oc2ccnc(NC(=O)C3CC3)c2)c1C
InChIInChI=1S/C29H25FN4O4/c1-16-17(2)25(38-21-11-12-32-26(13-21)34-28(36)19-3-4-19)10-9-24(16)33-29(37)23-15-31-14-22(27(23)35)18-5-7-20(30)8-6-18/h5-15,19H,3-4H2,1-2H3,(H,31,35)(H,33,37)(H,32,34,36)
InChIKeyORNLHCBZGVNIDZ-UHFFFAOYSA-N
XLogP5.59
TPSA113.18 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500512.54
LogP ≤ 55.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-[[2-(cyclopropanecarbonylamino)-4-pyridinyl]oxy]-3-fluorophenyl]-1-(4-fluorophenyl)-4-methyl-6-oxopyridazine-3-carboxamide
CID 162664657
1-N'-[4-[[2-(cyclopropanecarbonylamino)-4-pyridinyl]oxy]-2,5-difluorophenyl]-1-N-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide
CID 54576299
N-[4-[2-fluoro-4-[[2-(trifluoromethyl)-4-pyridinyl]carbamoylamino]phenoxy]-2-pyridinyl]cyclopropanecarboxamide
CID 118233803
N-[4-[3-fluoro-4-(methylaminomethylamino)phenoxy]-2-pyridinyl]cyclopropanecarboxamide
CID 134409049
1-(2-bromo-4-fluorophenyl)-2-[4-[[2-(cyclopropanecarbonylamino)-4-pyridinyl]oxy]-3-fluorophenyl]imidazole-4-carboxamide
CID 175690299
N-[4-(3-amino-5-fluorophenoxy)-2-pyridinyl]cyclopropanecarboxamide
CID 118231309
1-[4-(4-amino-2,3-dimethylphenoxy)-2-pyridinyl]-3-cyclopropylurea
CID 164899632
N-[4-[2-fluoro-4-[[3-(4-fluorophenyl)-4-oxo-1H-1,6-naphthyridin-5-yl]amino]phenoxy]-2-pyridinyl]propanamide
CID 155545590
N-[4-[4-[3-[3-(1,1-difluoroethyl)-5-fluorophenyl]-2-oxopropyl]-2-methylphenoxy]-2-pyridinyl]cyclopropanecarboxamide
CID 146772421
N-[4-[[2-(cyclopropanecarbonylamino)-4-pyridinyl]oxy]-3-fluorophenyl]-1-(2,6-dimethylphenyl)-4-methyl-5-oxo-1,2,4-triazole-3-carboxamide
CID 175690573
N-[4-[3-fluoro-4-[[4-methyl-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-2-pyridinyl]cyclopropanecarboxamide
CID 118233698
N-[4-[2-fluoro-4-[[3-(trifluoromethoxy)phenyl]carbamoylamino]phenoxy]-2-pyridinyl]cyclopropanecarboxamide
CID 118233904

Frequently Asked Questions

What is the IUPAC name of N-[4-[[2-(cyclopropanecarbonylamino)-4-pyridinyl]oxy]-2,3-dimethylphenyl]-5-(4-fluorophenyl)-4-oxo-1H-pyridine-3-carboxamide?
The IUPAC name of N-[4-[[2-(cyclopropanecarbonylamino)-4-pyridinyl]oxy]-2,3-dimethylphenyl]-5-(4-fluorophenyl)-4-oxo-1H-pyridine-3-carboxamide (CID 175471955) is N-[4-[[2-(cyclopropanecarbonylamino)-4-pyridinyl]oxy]-2,3-dimethylphenyl]-5-(4-fluorophenyl)-4-oxo-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-[4-[[2-(cyclopropanecarbonylamino)-4-pyridinyl]oxy]-2,3-dimethylphenyl]-5-(4-fluorophenyl)-4-oxo-1H-pyridine-3-carboxamide?
The canonical SMILES for N-[4-[[2-(cyclopropanecarbonylamino)-4-pyridinyl]oxy]-2,3-dimethylphenyl]-5-(4-fluorophenyl)-4-oxo-1H-pyridine-3-carboxamide is Cc1c(NC(=O)c2c[nH]cc(-c3ccc(F)cc3)c2=O)ccc(Oc2ccnc(NC(=O)C3CC3)c2)c1C.
What is the InChIKey of N-[4-[[2-(cyclopropanecarbonylamino)-4-pyridinyl]oxy]-2,3-dimethylphenyl]-5-(4-fluorophenyl)-4-oxo-1H-pyridine-3-carboxamide?
The InChIKey is ORNLHCBZGVNIDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H25FN4O4/c1-16-17(2)25(38-21-11-12-32-26(13-21)34-28(36)19-3-4-19)10-9-24(16)33-29(37)23-15-31-14-22(27(23)35)18-5-7-20(30)8-6-18/h5-15,19H,3-4H2,1-2H3,(H,31,35)(H,33,37)(H,32,34,36).
What are the key properties of N-[4-[[2-(cyclopropanecarbonylamino)-4-pyridinyl]oxy]-2,3-dimethylphenyl]-5-(4-fluorophenyl)-4-oxo-1H-pyridine-3-carboxamide?
N-[4-[[2-(cyclopropanecarbonylamino)-4-pyridinyl]oxy]-2,3-dimethylphenyl]-5-(4-fluorophenyl)-4-oxo-1H-pyridine-3-carboxamide has a molecular weight of 512.54 g/mol, XLogP of 5.59, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[2-(cyclopropanecarbonylamino)-4-pyridinyl]oxy]-2,3-dimethylphenyl]-5-(4-fluorophenyl)-4-oxo-1H-pyridine-3-carboxamide is sourced from PubChem (CID 175471955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).