N-[4-[2-(4-acetamidopiperidin-1-yl)pyrimidin-4-yl]oxynaphthalen-1-yl]-3-fluoro-5-morpholin-4-ylbenzamide

C32H33FN6O4 — CID 59553467

IUPACN-[4-[2-(4-acetamidopiperidin-1-yl)pyrimidin-4-yl]oxynaphthalen-1-yl]-3-fluoro-5-morpholin-4-ylbenzamide
SMILESCC(=O)NC1CCN(c2nccc(Oc3ccc(NC(=O)c4cc(F)cc(N5CCOCC5)c4)c4ccccc34)n2)CC1
InChIInChI=1S/C32H33FN6O4/c1-21(40)35-24-9-12-39(13-10-24)32-34-11-8-30(37-32)43-29-7-6-28(26-4-2-3-5-27(26)29)36-31(41)22-18-23(33)20-25(19-22)38-14-16-42-17-15-38/h2-8,11,18-20,24H,9-10,12-17H2,1H3,(H,35,40)(H,36,41)
InChIKeyAYSBUUFOTWEKKR-UHFFFAOYSA-N
MW584.65 g/mol
LogP4.76
Rot. Bonds7

About N-[4-[2-(4-acetamidopiperidin-1-yl)pyrimidin-4-yl]oxynaphthalen-1-yl]-3-fluoro-5-morpholin-4-ylbenzamide

N-[4-[2-(4-acetamidopiperidin-1-yl)pyrimidin-4-yl]oxynaphthalen-1-yl]-3-fluoro-5-morpholin-4-ylbenzamide (PubChem CID 59553467) has the molecular formula C32H33FN6O4 and a molecular weight of 584.65 g/mol. Its IUPAC name is N-[4-[2-(4-acetamidopiperidin-1-yl)pyrimidin-4-yl]oxynaphthalen-1-yl]-3-fluoro-5-morpholin-4-ylbenzamide.

Molecular Properties

Compound NameN-[4-[2-(4-acetamidopiperidin-1-yl)pyrimidin-4-yl]oxynaphthalen-1-yl]-3-fluoro-5-morpholin-4-ylbenzamide
PubChem CID59553467
Molecular FormulaC32H33FN6O4
Molecular Weight584.65 g/mol
Exact Mass584.25
IUPAC NameN-[4-[2-(4-acetamidopiperidin-1-yl)pyrimidin-4-yl]oxynaphthalen-1-yl]-3-fluoro-5-morpholin-4-ylbenzamide
SMILESCC(=O)NC1CCN(c2nccc(Oc3ccc(NC(=O)c4cc(F)cc(N5CCOCC5)c4)c4ccccc34)n2)CC1
InChIInChI=1S/C32H33FN6O4/c1-21(40)35-24-9-12-39(13-10-24)32-34-11-8-30(37-32)43-29-7-6-28(26-4-2-3-5-27(26)29)36-31(41)22-18-23(33)20-25(19-22)38-14-16-42-17-15-38/h2-8,11,18-20,24H,9-10,12-17H2,1H3,(H,35,40)(H,36,41)
InChIKeyAYSBUUFOTWEKKR-UHFFFAOYSA-N
XLogP4.76
TPSA108.92 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms43
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500584.65
LogP ≤ 54.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(4-acetamidopiperidin-1-yl)pyrimidin-4-yl]oxynaphthalen-1-yl]-3-fluoro-5-morpholin-4-ylbenzamide?
The IUPAC name of N-[4-[2-(4-acetamidopiperidin-1-yl)pyrimidin-4-yl]oxynaphthalen-1-yl]-3-fluoro-5-morpholin-4-ylbenzamide (CID 59553467) is N-[4-[2-(4-acetamidopiperidin-1-yl)pyrimidin-4-yl]oxynaphthalen-1-yl]-3-fluoro-5-morpholin-4-ylbenzamide.
What is the SMILES notation for N-[4-[2-(4-acetamidopiperidin-1-yl)pyrimidin-4-yl]oxynaphthalen-1-yl]-3-fluoro-5-morpholin-4-ylbenzamide?
The canonical SMILES for N-[4-[2-(4-acetamidopiperidin-1-yl)pyrimidin-4-yl]oxynaphthalen-1-yl]-3-fluoro-5-morpholin-4-ylbenzamide is CC(=O)NC1CCN(c2nccc(Oc3ccc(NC(=O)c4cc(F)cc(N5CCOCC5)c4)c4ccccc34)n2)CC1.
What is the InChIKey of N-[4-[2-(4-acetamidopiperidin-1-yl)pyrimidin-4-yl]oxynaphthalen-1-yl]-3-fluoro-5-morpholin-4-ylbenzamide?
The InChIKey is AYSBUUFOTWEKKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H33FN6O4/c1-21(40)35-24-9-12-39(13-10-24)32-34-11-8-30(37-32)43-29-7-6-28(26-4-2-3-5-27(26)29)36-31(41)22-18-23(33)20-25(19-22)38-14-16-42-17-15-38/h2-8,11,18-20,24H,9-10,12-17H2,1H3,(H,35,40)(H,36,41).
What are the key properties of N-[4-[2-(4-acetamidopiperidin-1-yl)pyrimidin-4-yl]oxynaphthalen-1-yl]-3-fluoro-5-morpholin-4-ylbenzamide?
N-[4-[2-(4-acetamidopiperidin-1-yl)pyrimidin-4-yl]oxynaphthalen-1-yl]-3-fluoro-5-morpholin-4-ylbenzamide has a molecular weight of 584.65 g/mol, XLogP of 4.76, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(4-acetamidopiperidin-1-yl)pyrimidin-4-yl]oxynaphthalen-1-yl]-3-fluoro-5-morpholin-4-ylbenzamide is sourced from PubChem (CID 59553467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).