N-[3-[(4-phenoxyphenyl)carbamoyl]phenyl]pyridine-3-carboxamide

C25H19N3O3 — CID 55631172

IUPACN-[3-[(4-phenoxyphenyl)carbamoyl]phenyl]pyridine-3-carboxamide
SMILESO=C(Nc1cccc(C(=O)Nc2ccc(Oc3ccccc3)cc2)c1)c1cccnc1
InChIInChI=1S/C25H19N3O3/c29-24(27-20-11-13-23(14-12-20)31-22-9-2-1-3-10-22)18-6-4-8-21(16-18)28-25(30)19-7-5-15-26-17-19/h1-17H,(H,27,29)(H,28,30)
InChIKeyRMYJURKBGQVFOY-UHFFFAOYSA-N
MW409.45 g/mol
LogP5.38
Rot. Bonds6

About N-[3-[(4-phenoxyphenyl)carbamoyl]phenyl]pyridine-3-carboxamide

N-[3-[(4-phenoxyphenyl)carbamoyl]phenyl]pyridine-3-carboxamide (PubChem CID 55631172) has the molecular formula C25H19N3O3 and a molecular weight of 409.45 g/mol. Its IUPAC name is N-[3-[(4-phenoxyphenyl)carbamoyl]phenyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[3-[(4-phenoxyphenyl)carbamoyl]phenyl]pyridine-3-carboxamide
PubChem CID55631172
Molecular FormulaC25H19N3O3
Molecular Weight409.45 g/mol
Exact Mass409.14
IUPAC NameN-[3-[(4-phenoxyphenyl)carbamoyl]phenyl]pyridine-3-carboxamide
SMILESO=C(Nc1cccc(C(=O)Nc2ccc(Oc3ccccc3)cc2)c1)c1cccnc1
InChIInChI=1S/C25H19N3O3/c29-24(27-20-11-13-23(14-12-20)31-22-9-2-1-3-10-22)18-6-4-8-21(16-18)28-25(30)19-7-5-15-26-17-19/h1-17H,(H,27,29)(H,28,30)
InChIKeyRMYJURKBGQVFOY-UHFFFAOYSA-N
XLogP5.38
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500409.45
LogP ≤ 55.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-acetamido-N-(4-phenoxyphenyl)benzamide
CID 24639214
1-N,3-N-bis(4-phenoxyphenyl)benzene-1,3-dicarboxamide
CID 3090014
3-(cyclopropanecarbonylamino)-N-(4-phenoxyphenyl)benzamide
CID 34757379
N-[3-[[2-(4-ethoxyphenoxy)phenyl]carbamoyl]phenyl]pyridine-3-carboxamide
CID 55630301
N-[4-[3-[4-(pyridine-4-carbonylamino)phenoxy]phenoxy]phenyl]pyridine-4-carboxamide
CID 1376699
N-(4-phenoxyphenyl)-3-phenylbenzamide
CID 117089120
5-hydroxy-N-(4-phenoxyphenyl)pyridine-3-carboxamide
CID 110862644
3-chloro-N-(3-pyridin-3-yloxyphenyl)benzamide
CID 58337765
4-phenoxy-2-(pyridine-3-carbonylamino)benzoic acid
CID 67343472
N-[4-(3-methoxyanilino)phenyl]pyridine-3-carboxamide
CID 112987448
N-(4-phenoxyphenyl)-3-propan-2-yloxybenzamide
CID 8779117
1-N,3-N-dipyridin-3-ylbenzene-1,3-dicarboxamide
CID 679756

Frequently Asked Questions

What is the IUPAC name of N-[3-[(4-phenoxyphenyl)carbamoyl]phenyl]pyridine-3-carboxamide?
The IUPAC name of N-[3-[(4-phenoxyphenyl)carbamoyl]phenyl]pyridine-3-carboxamide (CID 55631172) is N-[3-[(4-phenoxyphenyl)carbamoyl]phenyl]pyridine-3-carboxamide.
What is the SMILES notation for N-[3-[(4-phenoxyphenyl)carbamoyl]phenyl]pyridine-3-carboxamide?
The canonical SMILES for N-[3-[(4-phenoxyphenyl)carbamoyl]phenyl]pyridine-3-carboxamide is O=C(Nc1cccc(C(=O)Nc2ccc(Oc3ccccc3)cc2)c1)c1cccnc1.
What is the InChIKey of N-[3-[(4-phenoxyphenyl)carbamoyl]phenyl]pyridine-3-carboxamide?
The InChIKey is RMYJURKBGQVFOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19N3O3/c29-24(27-20-11-13-23(14-12-20)31-22-9-2-1-3-10-22)18-6-4-8-21(16-18)28-25(30)19-7-5-15-26-17-19/h1-17H,(H,27,29)(H,28,30).
What are the key properties of N-[3-[(4-phenoxyphenyl)carbamoyl]phenyl]pyridine-3-carboxamide?
N-[3-[(4-phenoxyphenyl)carbamoyl]phenyl]pyridine-3-carboxamide has a molecular weight of 409.45 g/mol, XLogP of 5.38, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(4-phenoxyphenyl)carbamoyl]phenyl]pyridine-3-carboxamide is sourced from PubChem (CID 55631172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).