6-(2-fluorophenyl)-N-[4-methoxy-3-[(1-morpholin-4-ylcyclopropanecarbonyl)amino]phenyl]pyridine-3-carboxamide

C27H27FN4O4 — CID 90458826

IUPAC6-(2-fluorophenyl)-N-[4-methoxy-3-[(1-morpholin-4-ylcyclopropanecarbonyl)amino]phenyl]pyridine-3-carboxamide
SMILESCOc1ccc(NC(=O)c2ccc(-c3ccccc3F)nc2)cc1NC(=O)C1(N2CCOCC2)CC1
InChIInChI=1S/C27H27FN4O4/c1-35-24-9-7-19(16-23(24)31-26(34)27(10-11-27)32-12-14-36-15-13-32)30-25(33)18-6-8-22(29-17-18)20-4-2-3-5-21(20)28/h2-9,16-17H,10-15H2,1H3,(H,30,33)(H,31,34)
InChIKeyXMMJCCFKGWLHAG-UHFFFAOYSA-N
MW490.54 g/mol
LogP3.95
Rot. Bonds7

About 6-(2-fluorophenyl)-N-[4-methoxy-3-[(1-morpholin-4-ylcyclopropanecarbonyl)amino]phenyl]pyridine-3-carboxamide

6-(2-fluorophenyl)-N-[4-methoxy-3-[(1-morpholin-4-ylcyclopropanecarbonyl)amino]phenyl]pyridine-3-carboxamide (PubChem CID 90458826) has the molecular formula C27H27FN4O4 and a molecular weight of 490.54 g/mol. Its IUPAC name is 6-(2-fluorophenyl)-N-[4-methoxy-3-[(1-morpholin-4-ylcyclopropanecarbonyl)amino]phenyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-(2-fluorophenyl)-N-[4-methoxy-3-[(1-morpholin-4-ylcyclopropanecarbonyl)amino]phenyl]pyridine-3-carboxamide
PubChem CID90458826
Molecular FormulaC27H27FN4O4
Molecular Weight490.54 g/mol
Exact Mass490.20
IUPAC Name6-(2-fluorophenyl)-N-[4-methoxy-3-[(1-morpholin-4-ylcyclopropanecarbonyl)amino]phenyl]pyridine-3-carboxamide
SMILESCOc1ccc(NC(=O)c2ccc(-c3ccccc3F)nc2)cc1NC(=O)C1(N2CCOCC2)CC1
InChIInChI=1S/C27H27FN4O4/c1-35-24-9-7-19(16-23(24)31-26(34)27(10-11-27)32-12-14-36-15-13-32)30-25(33)18-6-8-22(29-17-18)20-4-2-3-5-21(20)28/h2-9,16-17H,10-15H2,1H3,(H,30,33)(H,31,34)
InChIKeyXMMJCCFKGWLHAG-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 6-(2-fluorophenyl)-N-[4-methoxy-3-[(1-morpholin-4-ylcyclopropanecarbonyl)amino]phenyl]pyridine-3-carboxamide with MolForge

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Related Compounds

N-(4-(4-(2-methoxyphenyl)piperazin-1-yl)butyl)-4-pyridin-2-ylbenzamide
CID 44427818
GR-125743
CID 5311130
[3H]GR 125,743
CID 53321959
4-[3-[4-(4-fluoro-2-methoxyphenyl)piperazin-1-yl]propylamino]-3-N,3-N-dimethylquinoline-3,8-dicarboxamide
CID 10744240
4-(6-(18F)fluoro-2-pyridinyl)-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl](18F)benzamide
CID 16105553
4-(6-(18F)fluoro-3-pyridinyl)-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl](18F)benzamide
CID 16105555
5-N-[(3R)-3-[4-[4-methoxy-N-[(4-methyl-3-pyridinyl)methyl]anilino]piperidin-1-yl]butyl]-4,6-dimethyl-2-N-propan-2-ylpyridine-2,5-dicarboxamide
CID 57402801
N-[3-hydroxy-4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]quinoline-3-carboxamide
CID 122183778
N-[1-(2-Methoxy-phenylcarbamoyl)-2-pyridin-4-yl-vinyl]-benzamide
CID 5761053
N-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]-4-pyridin-4-ylbenzamide
CID 9865842
N-{3-[4-(2-Methoxy-phenyl)-piperazin-1-yl]-propyl}-nicotinamide
CID 9998277
N-{4-[4-(2-Methoxy-phenyl)-piperazin-1-yl]-butyl}-nicotinamide
CID 10067621

Frequently Asked Questions

What is the IUPAC name of 6-(2-fluorophenyl)-N-[4-methoxy-3-[(1-morpholin-4-ylcyclopropanecarbonyl)amino]phenyl]pyridine-3-carboxamide?
The IUPAC name of 6-(2-fluorophenyl)-N-[4-methoxy-3-[(1-morpholin-4-ylcyclopropanecarbonyl)amino]phenyl]pyridine-3-carboxamide (CID 90458826) is 6-(2-fluorophenyl)-N-[4-methoxy-3-[(1-morpholin-4-ylcyclopropanecarbonyl)amino]phenyl]pyridine-3-carboxamide.
What is the SMILES notation for 6-(2-fluorophenyl)-N-[4-methoxy-3-[(1-morpholin-4-ylcyclopropanecarbonyl)amino]phenyl]pyridine-3-carboxamide?
The canonical SMILES for 6-(2-fluorophenyl)-N-[4-methoxy-3-[(1-morpholin-4-ylcyclopropanecarbonyl)amino]phenyl]pyridine-3-carboxamide is COc1ccc(NC(=O)c2ccc(-c3ccccc3F)nc2)cc1NC(=O)C1(N2CCOCC2)CC1.
What is the InChIKey of 6-(2-fluorophenyl)-N-[4-methoxy-3-[(1-morpholin-4-ylcyclopropanecarbonyl)amino]phenyl]pyridine-3-carboxamide?
The InChIKey is XMMJCCFKGWLHAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27FN4O4/c1-35-24-9-7-19(16-23(24)31-26(34)27(10-11-27)32-12-14-36-15-13-32)30-25(33)18-6-8-22(29-17-18)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 6-(2-fluorophenyl)-N-[4-methoxy-3-[(1-morpholin-4-ylcyclopropanecarbonyl)amino]phenyl]pyridine-3-carboxamide?
6-(2-fluorophenyl)-N-[4-methoxy-3-[(1-morpholin-4-ylcyclopropanecarbonyl)amino]phenyl]pyridine-3-carboxamide 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 6-(2-fluorophenyl)-N-[4-methoxy-3-[(1-morpholin-4-ylcyclopropanecarbonyl)amino]phenyl]pyridine-3-carboxamide is sourced from PubChem (CID 90458826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).