5-methoxy-4-oxo-N-(4-phenylmethoxyoxan-3-yl)-1H-pyridine-2-carboxamide

C19H22N2O5 — CID 156609001

IUPAC5-methoxy-4-oxo-N-(4-phenylmethoxyoxan-3-yl)-1H-pyridine-2-carboxamide
SMILESCOc1c[nH]c(C(=O)NC2COCCC2OCc2ccccc2)cc1=O
InChIInChI=1S/C19H22N2O5/c1-24-18-10-20-14(9-16(18)22)19(23)21-15-12-25-8-7-17(15)26-11-13-5-3-2-4-6-13/h2-6,9-10,15,17H,7-8,11-12H2,1H3,(H,20,22)(H,21,23)
InChIKeyHMOVKXPNIMXXJR-UHFFFAOYSA-N
MW358.39 g/mol
LogP1.49
Rot. Bonds6

About 5-methoxy-4-oxo-N-(4-phenylmethoxyoxan-3-yl)-1H-pyridine-2-carboxamide

5-methoxy-4-oxo-N-(4-phenylmethoxyoxan-3-yl)-1H-pyridine-2-carboxamide (PubChem CID 156609001) has the molecular formula C19H22N2O5 and a molecular weight of 358.39 g/mol. Its IUPAC name is 5-methoxy-4-oxo-N-(4-phenylmethoxyoxan-3-yl)-1H-pyridine-2-carboxamide.

Molecular Properties

Compound Name5-methoxy-4-oxo-N-(4-phenylmethoxyoxan-3-yl)-1H-pyridine-2-carboxamide
PubChem CID156609001
Molecular FormulaC19H22N2O5
Molecular Weight358.39 g/mol
Exact Mass358.15
IUPAC Name5-methoxy-4-oxo-N-(4-phenylmethoxyoxan-3-yl)-1H-pyridine-2-carboxamide
SMILESCOc1c[nH]c(C(=O)NC2COCCC2OCc2ccccc2)cc1=O
InChIInChI=1S/C19H22N2O5/c1-24-18-10-20-14(9-16(18)22)19(23)21-15-12-25-8-7-17(15)26-11-13-5-3-2-4-6-13/h2-6,9-10,15,17H,7-8,11-12H2,1H3,(H,20,22)(H,21,23)
InChIKeyHMOVKXPNIMXXJR-UHFFFAOYSA-N
XLogP1.49
TPSA89.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.39
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(3R,4S)-4-phenylmethoxyoxan-3-yl]-1H-pyrazole-5-carboxamide
CID 91780512
1-methyl-N-[(3R,4S)-4-phenylmethoxyoxan-3-yl]indole-2-carboxamide
CID 91765488
N-[(3R,4S)-4-phenylmethoxyoxan-3-yl]-1,2-oxazole-3-carboxamide
CID 91797210
4-N-[(3R,4S)-4-phenylmethoxyoxan-3-yl]benzene-1,4-dicarboxamide
CID 91781998
2,4-dimethoxy-N-[(3S,4R)-3-phenylmethoxyoxan-4-yl]benzamide
CID 91773629
5-methyl-N-[(3R,4S)-4-phenylmethoxyoxan-3-yl]-1H-imidazole-2-carboxamide
CID 91776631
1,3-dimethyl-N-[(3R,4S)-4-phenylmethoxyoxan-3-yl]pyrazole-4-carboxamide
CID 91776232
2-methyl-N-[(3R,4S)-4-phenylmethoxyoxan-3-yl]pyrazole-3-carboxamide
CID 91777487
N-[(3R,4R)-4-methoxyoxan-3-yl]-2-phenylmethoxybenzamide
CID 91767554
N-[(3R,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-5-methoxy-4-oxo-1H-pyridine-2-carboxamide
CID 135114707
2-(3-fluorophenyl)-N-[(3R,4S)-4-phenylmethoxyoxan-3-yl]acetamide
CID 91785233
5-chloro-6-oxo-N-[(3S,4R)-3-phenylmethoxyoxan-4-yl]-1H-pyridine-3-carboxamide
CID 91775793

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-4-oxo-N-(4-phenylmethoxyoxan-3-yl)-1H-pyridine-2-carboxamide?
The IUPAC name of 5-methoxy-4-oxo-N-(4-phenylmethoxyoxan-3-yl)-1H-pyridine-2-carboxamide (CID 156609001) is 5-methoxy-4-oxo-N-(4-phenylmethoxyoxan-3-yl)-1H-pyridine-2-carboxamide.
What is the SMILES notation for 5-methoxy-4-oxo-N-(4-phenylmethoxyoxan-3-yl)-1H-pyridine-2-carboxamide?
The canonical SMILES for 5-methoxy-4-oxo-N-(4-phenylmethoxyoxan-3-yl)-1H-pyridine-2-carboxamide is COc1c[nH]c(C(=O)NC2COCCC2OCc2ccccc2)cc1=O.
What is the InChIKey of 5-methoxy-4-oxo-N-(4-phenylmethoxyoxan-3-yl)-1H-pyridine-2-carboxamide?
The InChIKey is HMOVKXPNIMXXJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O5/c1-24-18-10-20-14(9-16(18)22)19(23)21-15-12-25-8-7-17(15)26-11-13-5-3-2-4-6-13/h2-6,9-10,15,17H,7-8,11-12H2,1H3,(H,20,22)(H,21,23).
What are the key properties of 5-methoxy-4-oxo-N-(4-phenylmethoxyoxan-3-yl)-1H-pyridine-2-carboxamide?
5-methoxy-4-oxo-N-(4-phenylmethoxyoxan-3-yl)-1H-pyridine-2-carboxamide has a molecular weight of 358.39 g/mol, XLogP of 1.49, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-4-oxo-N-(4-phenylmethoxyoxan-3-yl)-1H-pyridine-2-carboxamide is sourced from PubChem (CID 156609001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).