N-[6-(2-fluorophenyl)-3-pyridinyl]-4-methoxy-3-[(1-morpholin-4-ylcyclopropanecarbonyl)amino]benzamide

C27H27FN4O4 — CID 86292442

IUPACN-[6-(2-fluorophenyl)-3-pyridinyl]-4-methoxy-3-[(1-morpholin-4-ylcyclopropanecarbonyl)amino]benzamide
SMILESCOc1ccc(C(=O)Nc2ccc(-c3ccccc3F)nc2)cc1NC(=O)C1(N2CCOCC2)CC1
InChIInChI=1S/C27H27FN4O4/c1-35-24-9-6-18(16-23(24)31-26(34)27(10-11-27)32-12-14-36-15-13-32)25(33)30-19-7-8-22(29-17-19)20-4-2-3-5-21(20)28/h2-9,16-17H,10-15H2,1H3,(H,30,33)(H,31,34)
InChIKeyOYXSUAHLPHEGQU-UHFFFAOYSA-N
MW490.54 g/mol
LogP3.95
Rot. Bonds7

About N-[6-(2-fluorophenyl)-3-pyridinyl]-4-methoxy-3-[(1-morpholin-4-ylcyclopropanecarbonyl)amino]benzamide

N-[6-(2-fluorophenyl)-3-pyridinyl]-4-methoxy-3-[(1-morpholin-4-ylcyclopropanecarbonyl)amino]benzamide (PubChem CID 86292442) has the molecular formula C27H27FN4O4 and a molecular weight of 490.54 g/mol. Its IUPAC name is N-[6-(2-fluorophenyl)-3-pyridinyl]-4-methoxy-3-[(1-morpholin-4-ylcyclopropanecarbonyl)amino]benzamide.

Molecular Properties

Compound NameN-[6-(2-fluorophenyl)-3-pyridinyl]-4-methoxy-3-[(1-morpholin-4-ylcyclopropanecarbonyl)amino]benzamide
PubChem CID86292442
Molecular FormulaC27H27FN4O4
Molecular Weight490.54 g/mol
Exact Mass490.20
IUPAC NameN-[6-(2-fluorophenyl)-3-pyridinyl]-4-methoxy-3-[(1-morpholin-4-ylcyclopropanecarbonyl)amino]benzamide
SMILESCOc1ccc(C(=O)Nc2ccc(-c3ccccc3F)nc2)cc1NC(=O)C1(N2CCOCC2)CC1
InChIInChI=1S/C27H27FN4O4/c1-35-24-9-6-18(16-23(24)31-26(34)27(10-11-27)32-12-14-36-15-13-32)25(33)30-19-7-8-22(29-17-19)20-4-2-3-5-21(20)28/h2-9,16-17H,10-15H2,1H3,(H,30,33)(H,31,34)
InChIKeyOYXSUAHLPHEGQU-UHFFFAOYSA-N
XLogP3.95
TPSA92.79 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.54
LogP ≤ 53.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[6-(2-fluorophenyl)-3-pyridinyl]-4-methoxy-3-[(1-morpholin-4-ylcyclopropanecarbonyl)amino]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[6-(2-fluorophenyl)-3-pyridinyl]-4-methoxy-3-[(1-morpholin-4-ylcyclopropanecarbonyl)amino]benzamide?
The IUPAC name of N-[6-(2-fluorophenyl)-3-pyridinyl]-4-methoxy-3-[(1-morpholin-4-ylcyclopropanecarbonyl)amino]benzamide (CID 86292442) is N-[6-(2-fluorophenyl)-3-pyridinyl]-4-methoxy-3-[(1-morpholin-4-ylcyclopropanecarbonyl)amino]benzamide.
What is the SMILES notation for N-[6-(2-fluorophenyl)-3-pyridinyl]-4-methoxy-3-[(1-morpholin-4-ylcyclopropanecarbonyl)amino]benzamide?
The canonical SMILES for N-[6-(2-fluorophenyl)-3-pyridinyl]-4-methoxy-3-[(1-morpholin-4-ylcyclopropanecarbonyl)amino]benzamide is COc1ccc(C(=O)Nc2ccc(-c3ccccc3F)nc2)cc1NC(=O)C1(N2CCOCC2)CC1.
What is the InChIKey of N-[6-(2-fluorophenyl)-3-pyridinyl]-4-methoxy-3-[(1-morpholin-4-ylcyclopropanecarbonyl)amino]benzamide?
The InChIKey is OYXSUAHLPHEGQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27FN4O4/c1-35-24-9-6-18(16-23(24)31-26(34)27(10-11-27)32-12-14-36-15-13-32)25(33)30-19-7-8-22(29-17-19)20-4-2-3-5-21(20)28/h2-9,16-17H,10-15H2,1H3,(H,30,33)(H,31,34).
What are the key properties of N-[6-(2-fluorophenyl)-3-pyridinyl]-4-methoxy-3-[(1-morpholin-4-ylcyclopropanecarbonyl)amino]benzamide?
N-[6-(2-fluorophenyl)-3-pyridinyl]-4-methoxy-3-[(1-morpholin-4-ylcyclopropanecarbonyl)amino]benzamide has a molecular weight of 490.54 g/mol, XLogP of 3.95, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(2-fluorophenyl)-3-pyridinyl]-4-methoxy-3-[(1-morpholin-4-ylcyclopropanecarbonyl)amino]benzamide is sourced from PubChem (CID 86292442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).