N-[4-[[2-(cyclopropanecarbonylamino)-4-pyridinyl]oxy]-2,3-dimethylphenyl]-1-(4-fluorophenyl)-2-oxopyridine-3-carboxamide

C29H25FN4O4 — CID 138393291

IUPACN-[4-[[2-(cyclopropanecarbonylamino)-4-pyridinyl]oxy]-2,3-dimethylphenyl]-1-(4-fluorophenyl)-2-oxopyridine-3-carboxamide
SMILESCc1c(NC(=O)c2cccn(-c3ccc(F)cc3)c2=O)ccc(Oc2ccnc(NC(=O)C3CC3)c2)c1C
InChIInChI=1S/C29H25FN4O4/c1-17-18(2)25(38-22-13-14-31-26(16-22)33-27(35)19-5-6-19)12-11-24(17)32-28(36)23-4-3-15-34(29(23)37)21-9-7-20(30)8-10-21/h3-4,7-16,19H,5-6H2,1-2H3,(H,32,36)(H,31,33,35)
InChIKeyPETCZXAONWLUFT-UHFFFAOYSA-N
MW512.54 g/mol
LogP5.38
Rot. Bonds7

About N-[4-[[2-(cyclopropanecarbonylamino)-4-pyridinyl]oxy]-2,3-dimethylphenyl]-1-(4-fluorophenyl)-2-oxopyridine-3-carboxamide

N-[4-[[2-(cyclopropanecarbonylamino)-4-pyridinyl]oxy]-2,3-dimethylphenyl]-1-(4-fluorophenyl)-2-oxopyridine-3-carboxamide (PubChem CID 138393291) 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]-1-(4-fluorophenyl)-2-oxopyridine-3-carboxamide.

Molecular Properties

Compound NameN-[4-[[2-(cyclopropanecarbonylamino)-4-pyridinyl]oxy]-2,3-dimethylphenyl]-1-(4-fluorophenyl)-2-oxopyridine-3-carboxamide
PubChem CID138393291
Molecular FormulaC29H25FN4O4
Molecular Weight512.54 g/mol
Exact Mass512.19
IUPAC NameN-[4-[[2-(cyclopropanecarbonylamino)-4-pyridinyl]oxy]-2,3-dimethylphenyl]-1-(4-fluorophenyl)-2-oxopyridine-3-carboxamide
SMILESCc1c(NC(=O)c2cccn(-c3ccc(F)cc3)c2=O)ccc(Oc2ccnc(NC(=O)C3CC3)c2)c1C
InChIInChI=1S/C29H25FN4O4/c1-17-18(2)25(38-22-13-14-31-26(16-22)33-27(35)19-5-6-19)12-11-24(17)32-28(36)23-4-3-15-34(29(23)37)21-9-7-20(30)8-10-21/h3-4,7-16,19H,5-6H2,1-2H3,(H,32,36)(H,31,33,35)
InChIKeyPETCZXAONWLUFT-UHFFFAOYSA-N
XLogP5.38
TPSA102.32 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500512.54
LogP ≤ 55.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[4-[[2-(cyclopropanecarbonylamino)-4-pyridinyl]oxy]-2,3-dimethylphenyl]-1-(4-fluorophenyl)-2-oxopyridine-3-carboxamide?
The IUPAC name of N-[4-[[2-(cyclopropanecarbonylamino)-4-pyridinyl]oxy]-2,3-dimethylphenyl]-1-(4-fluorophenyl)-2-oxopyridine-3-carboxamide (CID 138393291) is N-[4-[[2-(cyclopropanecarbonylamino)-4-pyridinyl]oxy]-2,3-dimethylphenyl]-1-(4-fluorophenyl)-2-oxopyridine-3-carboxamide.
What is the SMILES notation for N-[4-[[2-(cyclopropanecarbonylamino)-4-pyridinyl]oxy]-2,3-dimethylphenyl]-1-(4-fluorophenyl)-2-oxopyridine-3-carboxamide?
The canonical SMILES for N-[4-[[2-(cyclopropanecarbonylamino)-4-pyridinyl]oxy]-2,3-dimethylphenyl]-1-(4-fluorophenyl)-2-oxopyridine-3-carboxamide is Cc1c(NC(=O)c2cccn(-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]-1-(4-fluorophenyl)-2-oxopyridine-3-carboxamide?
The InChIKey is PETCZXAONWLUFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H25FN4O4/c1-17-18(2)25(38-22-13-14-31-26(16-22)33-27(35)19-5-6-19)12-11-24(17)32-28(36)23-4-3-15-34(29(23)37)21-9-7-20(30)8-10-21/h3-4,7-16,19H,5-6H2,1-2H3,(H,32,36)(H,31,33,35).
What are the key properties of N-[4-[[2-(cyclopropanecarbonylamino)-4-pyridinyl]oxy]-2,3-dimethylphenyl]-1-(4-fluorophenyl)-2-oxopyridine-3-carboxamide?
N-[4-[[2-(cyclopropanecarbonylamino)-4-pyridinyl]oxy]-2,3-dimethylphenyl]-1-(4-fluorophenyl)-2-oxopyridine-3-carboxamide has a molecular weight of 512.54 g/mol, XLogP of 5.38, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[2-(cyclopropanecarbonylamino)-4-pyridinyl]oxy]-2,3-dimethylphenyl]-1-(4-fluorophenyl)-2-oxopyridine-3-carboxamide is sourced from PubChem (CID 138393291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).