N-[3-[2-(4-fluorophenoxy)ethyl-methylcarbamoyl]phenyl]pyridine-3-carboxamide

C22H20FN3O3 — CID 55633796

IUPACN-[3-[2-(4-fluorophenoxy)ethyl-methylcarbamoyl]phenyl]pyridine-3-carboxamide
SMILESCN(CCOc1ccc(F)cc1)C(=O)c1cccc(NC(=O)c2cccnc2)c1
InChIInChI=1S/C22H20FN3O3/c1-26(12-13-29-20-9-7-18(23)8-10-20)22(28)16-4-2-6-19(14-16)25-21(27)17-5-3-11-24-15-17/h2-11,14-15H,12-13H2,1H3,(H,25,27)
InChIKeyNRFLJPKMNJTNGC-UHFFFAOYSA-N
MW393.42 g/mol
LogP3.62
Rot. Bonds7

About N-[3-[2-(4-fluorophenoxy)ethyl-methylcarbamoyl]phenyl]pyridine-3-carboxamide

N-[3-[2-(4-fluorophenoxy)ethyl-methylcarbamoyl]phenyl]pyridine-3-carboxamide (PubChem CID 55633796) has the molecular formula C22H20FN3O3 and a molecular weight of 393.42 g/mol. Its IUPAC name is N-[3-[2-(4-fluorophenoxy)ethyl-methylcarbamoyl]phenyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[3-[2-(4-fluorophenoxy)ethyl-methylcarbamoyl]phenyl]pyridine-3-carboxamide
PubChem CID55633796
Molecular FormulaC22H20FN3O3
Molecular Weight393.42 g/mol
Exact Mass393.15
IUPAC NameN-[3-[2-(4-fluorophenoxy)ethyl-methylcarbamoyl]phenyl]pyridine-3-carboxamide
SMILESCN(CCOc1ccc(F)cc1)C(=O)c1cccc(NC(=O)c2cccnc2)c1
InChIInChI=1S/C22H20FN3O3/c1-26(12-13-29-20-9-7-18(23)8-10-20)22(28)16-4-2-6-19(14-16)25-21(27)17-5-3-11-24-15-17/h2-11,14-15H,12-13H2,1H3,(H,25,27)
InChIKeyNRFLJPKMNJTNGC-UHFFFAOYSA-N
XLogP3.62
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.42
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-[methyl(3,3,3-trifluoropropyl)carbamoyl]phenyl]pyridine-3-carboxamide
CID 86833573
N-[3-[(4-butoxybenzoyl)amino]phenyl]pyridine-3-carboxamide
CID 46547921
N-[3-[benzyl(methyl)carbamoyl]phenyl]pyridine-3-carboxamide
CID 26162903
3-(carbamoylamino)-N-[2-(4-methoxyphenoxy)ethyl]-N-methylbenzamide
CID 9225229
N-[3-[2-cyanoethyl-(4-ethoxyphenyl)carbamoyl]phenyl]pyridine-3-carboxamide
CID 56534476
3-(cyclohexanecarbonylamino)-N-[3-(4-fluorophenoxy)propyl]-N-methylbenzamide
CID 46443051
N-(3-acetylphenyl)-2-[2-(4-fluorophenoxy)ethyl-methylamino]acetamide
CID 18094840
3-[(4-fluorobenzoyl)amino]-N-[(4-fluorophenyl)methyl]-N-methylbenzamide
CID 46474380
N-[3-[[2-(4-ethoxyphenoxy)phenyl]carbamoyl]phenyl]pyridine-3-carboxamide
CID 55630301
N-(4-fluorophenyl)pyridine-3-carboxamide;hydrochloride
CID 110756411
N-[3-[[2-(4-acetylphenoxy)acetyl]amino]phenyl]pyridine-3-carboxamide
CID 39188511
N-[3-[(4-phenoxyphenyl)carbamoyl]phenyl]pyridine-3-carboxamide
CID 55631172

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-(4-fluorophenoxy)ethyl-methylcarbamoyl]phenyl]pyridine-3-carboxamide?
The IUPAC name of N-[3-[2-(4-fluorophenoxy)ethyl-methylcarbamoyl]phenyl]pyridine-3-carboxamide (CID 55633796) is N-[3-[2-(4-fluorophenoxy)ethyl-methylcarbamoyl]phenyl]pyridine-3-carboxamide.
What is the SMILES notation for N-[3-[2-(4-fluorophenoxy)ethyl-methylcarbamoyl]phenyl]pyridine-3-carboxamide?
The canonical SMILES for N-[3-[2-(4-fluorophenoxy)ethyl-methylcarbamoyl]phenyl]pyridine-3-carboxamide is CN(CCOc1ccc(F)cc1)C(=O)c1cccc(NC(=O)c2cccnc2)c1.
What is the InChIKey of N-[3-[2-(4-fluorophenoxy)ethyl-methylcarbamoyl]phenyl]pyridine-3-carboxamide?
The InChIKey is NRFLJPKMNJTNGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20FN3O3/c1-26(12-13-29-20-9-7-18(23)8-10-20)22(28)16-4-2-6-19(14-16)25-21(27)17-5-3-11-24-15-17/h2-11,14-15H,12-13H2,1H3,(H,25,27).
What are the key properties of N-[3-[2-(4-fluorophenoxy)ethyl-methylcarbamoyl]phenyl]pyridine-3-carboxamide?
N-[3-[2-(4-fluorophenoxy)ethyl-methylcarbamoyl]phenyl]pyridine-3-carboxamide has a molecular weight of 393.42 g/mol, XLogP of 3.62, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-(4-fluorophenoxy)ethyl-methylcarbamoyl]phenyl]pyridine-3-carboxamide is sourced from PubChem (CID 55633796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).