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

C25H25FN4O4 — CID 90464932

IUPAC6-(4-fluorophenyl)-N-[4-methoxy-3-[(2-morpholin-4-ylacetyl)amino]phenyl]pyridine-3-carboxamide
SMILESCOc1ccc(NC(=O)c2ccc(-c3ccc(F)cc3)nc2)cc1NC(=O)CN1CCOCC1
InChIInChI=1S/C25H25FN4O4/c1-33-23-9-7-20(14-22(23)29-24(31)16-30-10-12-34-13-11-30)28-25(32)18-4-8-21(27-15-18)17-2-5-19(26)6-3-17/h2-9,14-15H,10-13,16H2,1H3,(H,28,32)(H,29,31)
InChIKeyBHVKNAHHCBACKA-UHFFFAOYSA-N
MW464.50 g/mol
LogP3.42
Rot. Bonds7

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

6-(4-fluorophenyl)-N-[4-methoxy-3-[(2-morpholin-4-ylacetyl)amino]phenyl]pyridine-3-carboxamide (PubChem CID 90464932) has the molecular formula C25H25FN4O4 and a molecular weight of 464.50 g/mol. Its IUPAC name is 6-(4-fluorophenyl)-N-[4-methoxy-3-[(2-morpholin-4-ylacetyl)amino]phenyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-(4-fluorophenyl)-N-[4-methoxy-3-[(2-morpholin-4-ylacetyl)amino]phenyl]pyridine-3-carboxamide
PubChem CID90464932
Molecular FormulaC25H25FN4O4
Molecular Weight464.50 g/mol
Exact Mass464.19
IUPAC Name6-(4-fluorophenyl)-N-[4-methoxy-3-[(2-morpholin-4-ylacetyl)amino]phenyl]pyridine-3-carboxamide
SMILESCOc1ccc(NC(=O)c2ccc(-c3ccc(F)cc3)nc2)cc1NC(=O)CN1CCOCC1
InChIInChI=1S/C25H25FN4O4/c1-33-23-9-7-20(14-22(23)29-24(31)16-30-10-12-34-13-11-30)28-25(32)18-4-8-21(27-15-18)17-2-5-19(26)6-3-17/h2-9,14-15H,10-13,16H2,1H3,(H,28,32)(H,29,31)
InChIKeyBHVKNAHHCBACKA-UHFFFAOYSA-N
XLogP3.42
TPSA92.79 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.50
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 6-(4-fluorophenyl)-N-[4-methoxy-3-[(2-morpholin-4-ylacetyl)amino]phenyl]pyridine-3-carboxamide with MolForge

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Related Compounds

N-[4-methoxy-3-[(2-morpholin-4-ylacetyl)amino]phenyl]-6-thiophen-2-ylpyridine-3-carboxamide
CID 118393455
4-[4-(aminomethyl)phenyl]-N-[4-methoxy-3-[(2-morpholin-4-ylacetyl)amino]phenyl]benzamide
CID 90459335
tert-butyl-[4-[4-[[4-methoxy-3-[(2-morpholin-4-ylacetyl)amino]phenyl]carbamoyl]phenyl]phenyl]carbamic acid
CID 118877629
N-(5-acetamido-2-methoxyphenyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]acetamide
CID 3703737
N-[5-[2-[6-(2-fluorophenyl)-3-pyridinyl]acetyl]-2-methoxyphenyl]-2-morpholin-4-ylacetamide
CID 148797037
N-[4-methoxy-3-[(2-morpholin-4-ylacetyl)amino]phenyl]-5-(4-methoxyphenyl)thiophene-2-carboxamide
CID 86294150
4-(3-methoxypropoxy)-3-[(2-morpholin-4-ylacetyl)amino]-N-(4-phenylphenyl)benzamide
CID 86298920
N-[5-[(2-chlorophenyl)carbamoylamino]-2-methoxyphenyl]-2-morpholin-4-ylacetamide
CID 3568292
N-(5-ethyl-2-methoxyphenyl)-2-morpholin-4-ylacetamide
CID 154733696
N-[5-(3-fluorophenyl)pyrazin-2-yl]-3-[(2-morpholin-4-ylacetyl)amino]-4-(trifluoromethoxy)benzamide
CID 118385301
N-(5-acetamido-2-methoxyphenyl)-2-(azocan-1-yl)acetamide
CID 8680244
4-methylsulfanyl-3-[(2-morpholin-4-ylacetyl)amino]-N-(4-phenylphenyl)benzamide
CID 86299107

Frequently Asked Questions

What is the IUPAC name of 6-(4-fluorophenyl)-N-[4-methoxy-3-[(2-morpholin-4-ylacetyl)amino]phenyl]pyridine-3-carboxamide?
The IUPAC name of 6-(4-fluorophenyl)-N-[4-methoxy-3-[(2-morpholin-4-ylacetyl)amino]phenyl]pyridine-3-carboxamide (CID 90464932) is 6-(4-fluorophenyl)-N-[4-methoxy-3-[(2-morpholin-4-ylacetyl)amino]phenyl]pyridine-3-carboxamide.
What is the SMILES notation for 6-(4-fluorophenyl)-N-[4-methoxy-3-[(2-morpholin-4-ylacetyl)amino]phenyl]pyridine-3-carboxamide?
The canonical SMILES for 6-(4-fluorophenyl)-N-[4-methoxy-3-[(2-morpholin-4-ylacetyl)amino]phenyl]pyridine-3-carboxamide is COc1ccc(NC(=O)c2ccc(-c3ccc(F)cc3)nc2)cc1NC(=O)CN1CCOCC1.
What is the InChIKey of 6-(4-fluorophenyl)-N-[4-methoxy-3-[(2-morpholin-4-ylacetyl)amino]phenyl]pyridine-3-carboxamide?
The InChIKey is BHVKNAHHCBACKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25FN4O4/c1-33-23-9-7-20(14-22(23)29-24(31)16-30-10-12-34-13-11-30)28-25(32)18-4-8-21(27-15-18)17-2-5-19(26)6-3-17/h2-9,14-15H,10-13,16H2,1H3,(H,28,32)(H,29,31).
What are the key properties of 6-(4-fluorophenyl)-N-[4-methoxy-3-[(2-morpholin-4-ylacetyl)amino]phenyl]pyridine-3-carboxamide?
6-(4-fluorophenyl)-N-[4-methoxy-3-[(2-morpholin-4-ylacetyl)amino]phenyl]pyridine-3-carboxamide has a molecular weight of 464.50 g/mol, XLogP of 3.42, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-fluorophenyl)-N-[4-methoxy-3-[(2-morpholin-4-ylacetyl)amino]phenyl]pyridine-3-carboxamide is sourced from PubChem (CID 90464932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).