N-[4-(4-phenylmethoxyanilino)phenyl]pyridine-3-carboxamide

C25H21N3O2 — CID 112988913

IUPACN-[4-(4-phenylmethoxyanilino)phenyl]pyridine-3-carboxamide
SMILESO=C(Nc1ccc(Nc2ccc(OCc3ccccc3)cc2)cc1)c1cccnc1
InChIInChI=1S/C25H21N3O2/c29-25(20-7-4-16-26-17-20)28-23-10-8-21(9-11-23)27-22-12-14-24(15-13-22)30-18-19-5-2-1-3-6-19/h1-17,27H,18H2,(H,28,29)
InChIKeyALEZRIBWZUYUIA-UHFFFAOYSA-N
MW395.46 g/mol
LogP5.66
Rot. Bonds7

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

N-[4-(4-phenylmethoxyanilino)phenyl]pyridine-3-carboxamide (PubChem CID 112988913) has the molecular formula C25H21N3O2 and a molecular weight of 395.46 g/mol. Its IUPAC name is N-[4-(4-phenylmethoxyanilino)phenyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[4-(4-phenylmethoxyanilino)phenyl]pyridine-3-carboxamide
PubChem CID112988913
Molecular FormulaC25H21N3O2
Molecular Weight395.46 g/mol
Exact Mass395.16
IUPAC NameN-[4-(4-phenylmethoxyanilino)phenyl]pyridine-3-carboxamide
SMILESO=C(Nc1ccc(Nc2ccc(OCc3ccccc3)cc2)cc1)c1cccnc1
InChIInChI=1S/C25H21N3O2/c29-25(20-7-4-16-26-17-20)28-23-10-8-21(9-11-23)27-22-12-14-24(15-13-22)30-18-19-5-2-1-3-6-19/h1-17,27H,18H2,(H,28,29)
InChIKeyALEZRIBWZUYUIA-UHFFFAOYSA-N
XLogP5.66
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.46
LogP ≤ 55.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-phenylmethoxyphenyl)carbamothioyl]pyridine-3-carboxamide
CID 1297746
N-[(4-phenylmethoxyphenyl)methyl]pyridine-3-carboxamide
CID 23130542
N-[4-(phenoxymethyl)phenyl]benzamide
CID 141092226
4-[4-(pyridin-3-ylmethoxy)anilino]benzoic acid
CID 70036759
3,3-dimethyl-5-oxo-N-(4-phenylmethoxyphenyl)-5-[2-(pyridine-3-carbonyl)hydrazinyl]pentanamide
CID 3888053
4-phenylmethoxy-N-[4-[4-(pyridine-3-carbonyl)piperazin-1-yl]phenyl]benzamide
CID 166495125
1-(4-phenylmethoxyphenyl)-3-(pyridin-3-ylmethyl)urea
CID 110706294
N-[4-[(5-phenyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]pyridine-3-carboxamide
CID 50844264
N-(4-phenylmethoxyphenyl)-N'-pyridin-3-ylpentanediamide
CID 51362775
N-(6-phenylmethoxy-3-pyridinyl)-3-(pyridin-3-ylmethoxy)benzamide
CID 55880084
5-N-(4-phenylmethoxyphenyl)-3-N-propylpyridine-3,5-dicarboxamide
CID 109101290
(2S)-2-methoxy-3-[4-[2-[4-(pyridine-3-carbonylamino)phenoxy]ethoxy]phenyl]propanoic acid
CID 58822795

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-phenylmethoxyanilino)phenyl]pyridine-3-carboxamide?
The IUPAC name of N-[4-(4-phenylmethoxyanilino)phenyl]pyridine-3-carboxamide (CID 112988913) is N-[4-(4-phenylmethoxyanilino)phenyl]pyridine-3-carboxamide.
What is the SMILES notation for N-[4-(4-phenylmethoxyanilino)phenyl]pyridine-3-carboxamide?
The canonical SMILES for N-[4-(4-phenylmethoxyanilino)phenyl]pyridine-3-carboxamide is O=C(Nc1ccc(Nc2ccc(OCc3ccccc3)cc2)cc1)c1cccnc1.
What is the InChIKey of N-[4-(4-phenylmethoxyanilino)phenyl]pyridine-3-carboxamide?
The InChIKey is ALEZRIBWZUYUIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21N3O2/c29-25(20-7-4-16-26-17-20)28-23-10-8-21(9-11-23)27-22-12-14-24(15-13-22)30-18-19-5-2-1-3-6-19/h1-17,27H,18H2,(H,28,29).
What are the key properties of N-[4-(4-phenylmethoxyanilino)phenyl]pyridine-3-carboxamide?
N-[4-(4-phenylmethoxyanilino)phenyl]pyridine-3-carboxamide has a molecular weight of 395.46 g/mol, XLogP of 5.66, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-phenylmethoxyanilino)phenyl]pyridine-3-carboxamide is sourced from PubChem (CID 112988913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).