3-oxo-2-phenylmethoxy-N-pyridin-3-ylcyclohexa-1,5-diene-1-carboxamide

C19H16N2O3 — CID 67108039

IUPAC3-oxo-2-phenylmethoxy-N-pyridin-3-ylcyclohexa-1,5-diene-1-carboxamide
SMILESO=C1CC=CC(C(=O)Nc2cccnc2)=C1OCc1ccccc1
InChIInChI=1S/C19H16N2O3/c22-17-10-4-9-16(19(23)21-15-8-5-11-20-12-15)18(17)24-13-14-6-2-1-3-7-14/h1-9,11-12H,10,13H2,(H,21,23)
InChIKeyCSXGWEPGHQFAGC-UHFFFAOYSA-N
MW320.35 g/mol
LogP3.02
Rot. Bonds5

About 3-oxo-2-phenylmethoxy-N-pyridin-3-ylcyclohexa-1,5-diene-1-carboxamide

3-oxo-2-phenylmethoxy-N-pyridin-3-ylcyclohexa-1,5-diene-1-carboxamide (PubChem CID 67108039) has the molecular formula C19H16N2O3 and a molecular weight of 320.35 g/mol. Its IUPAC name is 3-oxo-2-phenylmethoxy-N-pyridin-3-ylcyclohexa-1,5-diene-1-carboxamide.

Molecular Properties

Compound Name3-oxo-2-phenylmethoxy-N-pyridin-3-ylcyclohexa-1,5-diene-1-carboxamide
PubChem CID67108039
Molecular FormulaC19H16N2O3
Molecular Weight320.35 g/mol
Exact Mass320.12
IUPAC Name3-oxo-2-phenylmethoxy-N-pyridin-3-ylcyclohexa-1,5-diene-1-carboxamide
SMILESO=C1CC=CC(C(=O)Nc2cccnc2)=C1OCc1ccccc1
InChIInChI=1S/C19H16N2O3/c22-17-10-4-9-16(19(23)21-15-8-5-11-20-12-15)18(17)24-13-14-6-2-1-3-7-14/h1-9,11-12H,10,13H2,(H,21,23)
InChIKeyCSXGWEPGHQFAGC-UHFFFAOYSA-N
XLogP3.02
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.35
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-phenylmethoxy-N-pyridin-3-yl-1,2-oxazole-5-carboxamide
CID 90574213
2-[(4-methylphenyl)methoxy]-N-pyridin-3-ylbenzamide
CID 118911654
N-(4-phenylmethoxyphenyl)-N'-pyridin-3-ylpentanediamide
CID 51362775
benzyl N-[(2S)-1-oxo-3-phenyl-1-(pyridin-3-ylamino)propan-2-yl]carbamate
CID 25392424
2-[(4-cyanophenyl)methoxy]-N-pyridin-3-ylbenzamide
CID 118911656
2-[(3-fluorophenyl)methoxy]-N-pyridin-3-ylbenzamide
CID 118911652
N-pyridin-3-ylbenzamide;dihydrochloride
CID 174671785
3-amino-2-phenyl-N-pyridin-3-ylpyridine-4-carboxamide
CID 146124603
N-[4-(4-phenylmethoxyanilino)phenyl]pyridine-3-carboxamide
CID 112988913
(2R,4R)-2-[[4-(hydroxymethyl)phenyl]methoxy]-4-phenyl-N-pyridin-3-yl-3,4-dihydro-2H-pyran-6-carboxamide
CID 23818306
4-oxo-5-phenylmethoxy-N-pyridin-3-ylpiperidine-2-carboxamide
CID 75949315
N-phenylmethoxypyridin-3-amine;dihydrochloride
CID 141050339

Frequently Asked Questions

What is the IUPAC name of 3-oxo-2-phenylmethoxy-N-pyridin-3-ylcyclohexa-1,5-diene-1-carboxamide?
The IUPAC name of 3-oxo-2-phenylmethoxy-N-pyridin-3-ylcyclohexa-1,5-diene-1-carboxamide (CID 67108039) is 3-oxo-2-phenylmethoxy-N-pyridin-3-ylcyclohexa-1,5-diene-1-carboxamide.
What is the SMILES notation for 3-oxo-2-phenylmethoxy-N-pyridin-3-ylcyclohexa-1,5-diene-1-carboxamide?
The canonical SMILES for 3-oxo-2-phenylmethoxy-N-pyridin-3-ylcyclohexa-1,5-diene-1-carboxamide is O=C1CC=CC(C(=O)Nc2cccnc2)=C1OCc1ccccc1.
What is the InChIKey of 3-oxo-2-phenylmethoxy-N-pyridin-3-ylcyclohexa-1,5-diene-1-carboxamide?
The InChIKey is CSXGWEPGHQFAGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N2O3/c22-17-10-4-9-16(19(23)21-15-8-5-11-20-12-15)18(17)24-13-14-6-2-1-3-7-14/h1-9,11-12H,10,13H2,(H,21,23).
What are the key properties of 3-oxo-2-phenylmethoxy-N-pyridin-3-ylcyclohexa-1,5-diene-1-carboxamide?
3-oxo-2-phenylmethoxy-N-pyridin-3-ylcyclohexa-1,5-diene-1-carboxamide has a molecular weight of 320.35 g/mol, XLogP of 3.02, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-oxo-2-phenylmethoxy-N-pyridin-3-ylcyclohexa-1,5-diene-1-carboxamide is sourced from PubChem (CID 67108039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).