4-tert-butyl-N-[2-methyl-3-[1-methyl-5-[4-(morpholine-4-carbonyl)anilino]-6-oxo-3-pyridinyl]phenyl]benzamide

C35H38N4O4 — CID 11852469

IUPAC4-tert-butyl-N-[2-methyl-3-[1-methyl-5-[4-(morpholine-4-carbonyl)anilino]-6-oxo-3-pyridinyl]phenyl]benzamide
SMILESCc1c(NC(=O)c2ccc(C(C)(C)C)cc2)cccc1-c1cc(Nc2ccc(C(=O)N3CCOCC3)cc2)c(=O)n(C)c1
InChIInChI=1S/C35H38N4O4/c1-23-29(7-6-8-30(23)37-32(40)24-9-13-27(14-10-24)35(2,3)4)26-21-31(34(42)38(5)22-26)36-28-15-11-25(12-16-28)33(41)39-17-19-43-20-18-39/h6-16,21-22,36H,17-20H2,1-5H3,(H,37,40)
InChIKeyFWFBJMDDPDNCHB-UHFFFAOYSA-N
MW578.71 g/mol
LogP6.13
Rot. Bonds6

About 4-tert-butyl-N-[2-methyl-3-[1-methyl-5-[4-(morpholine-4-carbonyl)anilino]-6-oxo-3-pyridinyl]phenyl]benzamide

4-tert-butyl-N-[2-methyl-3-[1-methyl-5-[4-(morpholine-4-carbonyl)anilino]-6-oxo-3-pyridinyl]phenyl]benzamide (PubChem CID 11852469) has the molecular formula C35H38N4O4 and a molecular weight of 578.71 g/mol. Its IUPAC name is 4-tert-butyl-N-[2-methyl-3-[1-methyl-5-[4-(morpholine-4-carbonyl)anilino]-6-oxo-3-pyridinyl]phenyl]benzamide.

Molecular Properties

Compound Name4-tert-butyl-N-[2-methyl-3-[1-methyl-5-[4-(morpholine-4-carbonyl)anilino]-6-oxo-3-pyridinyl]phenyl]benzamide
PubChem CID11852469
Molecular FormulaC35H38N4O4
Molecular Weight578.71 g/mol
Exact Mass578.29
IUPAC Name4-tert-butyl-N-[2-methyl-3-[1-methyl-5-[4-(morpholine-4-carbonyl)anilino]-6-oxo-3-pyridinyl]phenyl]benzamide
SMILESCc1c(NC(=O)c2ccc(C(C)(C)C)cc2)cccc1-c1cc(Nc2ccc(C(=O)N3CCOCC3)cc2)c(=O)n(C)c1
InChIInChI=1S/C35H38N4O4/c1-23-29(7-6-8-30(23)37-32(40)24-9-13-27(14-10-24)35(2,3)4)26-21-31(34(42)38(5)22-26)36-28-15-11-25(12-16-28)33(41)39-17-19-43-20-18-39/h6-16,21-22,36H,17-20H2,1-5H3,(H,37,40)
InChIKeyFWFBJMDDPDNCHB-UHFFFAOYSA-N
XLogP6.13
TPSA92.67 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500578.71
LogP ≤ 56.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-[2-methyl-3-[1-methyl-5-[4-(morpholine-4-carbonyl)anilino]-6-oxo-3-pyridinyl]phenyl]benzamide?
The IUPAC name of 4-tert-butyl-N-[2-methyl-3-[1-methyl-5-[4-(morpholine-4-carbonyl)anilino]-6-oxo-3-pyridinyl]phenyl]benzamide (CID 11852469) is 4-tert-butyl-N-[2-methyl-3-[1-methyl-5-[4-(morpholine-4-carbonyl)anilino]-6-oxo-3-pyridinyl]phenyl]benzamide.
What is the SMILES notation for 4-tert-butyl-N-[2-methyl-3-[1-methyl-5-[4-(morpholine-4-carbonyl)anilino]-6-oxo-3-pyridinyl]phenyl]benzamide?
The canonical SMILES for 4-tert-butyl-N-[2-methyl-3-[1-methyl-5-[4-(morpholine-4-carbonyl)anilino]-6-oxo-3-pyridinyl]phenyl]benzamide is Cc1c(NC(=O)c2ccc(C(C)(C)C)cc2)cccc1-c1cc(Nc2ccc(C(=O)N3CCOCC3)cc2)c(=O)n(C)c1.
What is the InChIKey of 4-tert-butyl-N-[2-methyl-3-[1-methyl-5-[4-(morpholine-4-carbonyl)anilino]-6-oxo-3-pyridinyl]phenyl]benzamide?
The InChIKey is FWFBJMDDPDNCHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H38N4O4/c1-23-29(7-6-8-30(23)37-32(40)24-9-13-27(14-10-24)35(2,3)4)26-21-31(34(42)38(5)22-26)36-28-15-11-25(12-16-28)33(41)39-17-19-43-20-18-39/h6-16,21-22,36H,17-20H2,1-5H3,(H,37,40).
What are the key properties of 4-tert-butyl-N-[2-methyl-3-[1-methyl-5-[4-(morpholine-4-carbonyl)anilino]-6-oxo-3-pyridinyl]phenyl]benzamide?
4-tert-butyl-N-[2-methyl-3-[1-methyl-5-[4-(morpholine-4-carbonyl)anilino]-6-oxo-3-pyridinyl]phenyl]benzamide has a molecular weight of 578.71 g/mol, XLogP of 6.13, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-[2-methyl-3-[1-methyl-5-[4-(morpholine-4-carbonyl)anilino]-6-oxo-3-pyridinyl]phenyl]benzamide is sourced from PubChem (CID 11852469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).