1-(2-hydroxyethyl)-4-oxo-3-phenylmethoxy-N-propylpyridine-2-carboxamide

C18H22N2O4 — CID 143761971

IUPAC1-(2-hydroxyethyl)-4-oxo-3-phenylmethoxy-N-propylpyridine-2-carboxamide
SMILESCCCNC(=O)c1c(OCc2ccccc2)c(=O)ccn1CCO
InChIInChI=1S/C18H22N2O4/c1-2-9-19-18(23)16-17(15(22)8-10-20(16)11-12-21)24-13-14-6-4-3-5-7-14/h3-8,10,21H,2,9,11-13H2,1H3,(H,19,23)
InChIKeyXXJDSCOPPQFVPJ-UHFFFAOYSA-N
MW330.38 g/mol
LogP1.56
Rot. Bonds8

About 1-(2-hydroxyethyl)-4-oxo-3-phenylmethoxy-N-propylpyridine-2-carboxamide

1-(2-hydroxyethyl)-4-oxo-3-phenylmethoxy-N-propylpyridine-2-carboxamide (PubChem CID 143761971) has the molecular formula C18H22N2O4 and a molecular weight of 330.38 g/mol. Its IUPAC name is 1-(2-hydroxyethyl)-4-oxo-3-phenylmethoxy-N-propylpyridine-2-carboxamide.

Molecular Properties

Compound Name1-(2-hydroxyethyl)-4-oxo-3-phenylmethoxy-N-propylpyridine-2-carboxamide
PubChem CID143761971
Molecular FormulaC18H22N2O4
Molecular Weight330.38 g/mol
Exact Mass330.16
IUPAC Name1-(2-hydroxyethyl)-4-oxo-3-phenylmethoxy-N-propylpyridine-2-carboxamide
SMILESCCCNC(=O)c1c(OCc2ccccc2)c(=O)ccn1CCO
InChIInChI=1S/C18H22N2O4/c1-2-9-19-18(23)16-17(15(22)8-10-20(16)11-12-21)24-13-14-6-4-3-5-7-14/h3-8,10,21H,2,9,11-13H2,1H3,(H,19,23)
InChIKeyXXJDSCOPPQFVPJ-UHFFFAOYSA-N
XLogP1.56
TPSA80.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.38
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-hydroxy-1-(2-hydroxyethyl)-4-oxo-N-propylpyridine-2-carboxamide
CID 143761949
N-[4-amino-7-[[1-(2-hydroxyethyl)-4-oxo-3-phenylmethoxypyridine-2-carbonyl]amino]-4-[3-[[1-(2-hydroxyethyl)-4-oxo-3-phenylmethoxypyridine-2-carbonyl]amino]propyl]heptyl]-3-(cyclohexa-2,4-dien-1-ylmethoxy)-1-(2-hydroxyethyl)-4-oxopyridine-2-carboxamide
CID 89256879
1-(2-hydroxyethyl)-2-methyl-3-phenylmethoxypyridin-4-one;3-hydroxy-1-(2-hydroxyethyl)-2-methylpyridin-4-one
CID 158779776
N-[[3-(aminomethyl)-5,7-bis[[[1-(2,3-dihydroxypropyl)-4-oxo-3-phenylmethoxypyridine-2-carbonyl]amino]methyl]-1-adamantyl]methyl]-1-(2,3-dihydroxypropyl)-4-oxo-3-phenylmethoxypyridine-2-carboxamide
CID 25234889
N-[2-(2-methoxy-3-pyridinyl)ethyl]-1-methyl-4-oxo-3-phenylmethoxypyridine-2-carboxamide
CID 157014793
1-amino-N-(4,4-dimethoxybutyl)-4-oxo-3-phenylmethoxypyridine-2-carboxamide
CID 70369313
1-methyl-6-[(4-methyl-N-sulfinoanilino)methyl]-4-oxo-3-phenylmethoxy-2-(propylcarbamoyl)pyridine
CID 90270934
tert-butyl N-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethylcarbamoyl]-4-oxo-3-phenylmethoxy-1-pyridinyl]carbamate
CID 163999089
N-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethyl]-1-methyl-4-oxo-3-phenylmethoxypyridine-2-carboxamide
CID 156585394
2-[bis[1-(hydroxyamino)-3-[1-(2-hydroxyethyl)-4-oxo-3-phenylmethoxy-2-pyridinyl]-1-oxopropan-2-yl]amino]-N-hydroxy-3-[1-(2-hydroxyethyl)-4-oxo-3-phenylmethoxy-2-pyridinyl]propanamide
CID 87525030
N-[[3-(aminomethyl)-5,7-bis[[[1-(2,3-diphenoxypropyl)-4-oxo-3-phenylmethoxypyridine-2-carbonyl]amino]methyl]-1-adamantyl]methyl]-1-(2,3-diphenoxypropyl)-4-oxo-3-phenylmethoxypyridine-2-carboxamide
CID 25234953
1-amino-N-[2-(2-butoxy-2-methoxyethoxy)ethyl]-4-oxo-3-phenylmethoxypyridine-2-carboxamide
CID 134484200

Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxyethyl)-4-oxo-3-phenylmethoxy-N-propylpyridine-2-carboxamide?
The IUPAC name of 1-(2-hydroxyethyl)-4-oxo-3-phenylmethoxy-N-propylpyridine-2-carboxamide (CID 143761971) is 1-(2-hydroxyethyl)-4-oxo-3-phenylmethoxy-N-propylpyridine-2-carboxamide.
What is the SMILES notation for 1-(2-hydroxyethyl)-4-oxo-3-phenylmethoxy-N-propylpyridine-2-carboxamide?
The canonical SMILES for 1-(2-hydroxyethyl)-4-oxo-3-phenylmethoxy-N-propylpyridine-2-carboxamide is CCCNC(=O)c1c(OCc2ccccc2)c(=O)ccn1CCO.
What is the InChIKey of 1-(2-hydroxyethyl)-4-oxo-3-phenylmethoxy-N-propylpyridine-2-carboxamide?
The InChIKey is XXJDSCOPPQFVPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O4/c1-2-9-19-18(23)16-17(15(22)8-10-20(16)11-12-21)24-13-14-6-4-3-5-7-14/h3-8,10,21H,2,9,11-13H2,1H3,(H,19,23).
What are the key properties of 1-(2-hydroxyethyl)-4-oxo-3-phenylmethoxy-N-propylpyridine-2-carboxamide?
1-(2-hydroxyethyl)-4-oxo-3-phenylmethoxy-N-propylpyridine-2-carboxamide has a molecular weight of 330.38 g/mol, XLogP of 1.56, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxyethyl)-4-oxo-3-phenylmethoxy-N-propylpyridine-2-carboxamide is sourced from PubChem (CID 143761971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).