1-[1-(2-methoxyethyl)-4-oxo-3-phenylmethoxy-2-pyridinyl]propylcarbamic acid

C19H24N2O5 — CID 87289982

IUPAC1-[1-(2-methoxyethyl)-4-oxo-3-phenylmethoxy-2-pyridinyl]propylcarbamic acid
SMILESCCC(NC(=O)O)c1c(OCc2ccccc2)c(=O)ccn1CCOC
InChIInChI=1S/C19H24N2O5/c1-3-15(20-19(23)24)17-18(26-13-14-7-5-4-6-8-14)16(22)9-10-21(17)11-12-25-2/h4-10,15,20H,3,11-13H2,1-2H3,(H,23,24)
InChIKeyZSUSAMWHFYPFOS-UHFFFAOYSA-N
MW360.41 g/mol
LogP2.79
Rot. Bonds9

About 1-[1-(2-methoxyethyl)-4-oxo-3-phenylmethoxy-2-pyridinyl]propylcarbamic acid

1-[1-(2-methoxyethyl)-4-oxo-3-phenylmethoxy-2-pyridinyl]propylcarbamic acid (PubChem CID 87289982) has the molecular formula C19H24N2O5 and a molecular weight of 360.41 g/mol. Its IUPAC name is 1-[1-(2-methoxyethyl)-4-oxo-3-phenylmethoxy-2-pyridinyl]propylcarbamic acid.

Molecular Properties

Compound Name1-[1-(2-methoxyethyl)-4-oxo-3-phenylmethoxy-2-pyridinyl]propylcarbamic acid
PubChem CID87289982
Molecular FormulaC19H24N2O5
Molecular Weight360.41 g/mol
Exact Mass360.17
IUPAC Name1-[1-(2-methoxyethyl)-4-oxo-3-phenylmethoxy-2-pyridinyl]propylcarbamic acid
SMILESCCC(NC(=O)O)c1c(OCc2ccccc2)c(=O)ccn1CCOC
InChIInChI=1S/C19H24N2O5/c1-3-15(20-19(23)24)17-18(26-13-14-7-5-4-6-8-14)16(22)9-10-21(17)11-12-25-2/h4-10,15,20H,3,11-13H2,1-2H3,(H,23,24)
InChIKeyZSUSAMWHFYPFOS-UHFFFAOYSA-N
XLogP2.79
TPSA89.79 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.41
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[1-(2-methoxyethyl)-2-methyl-4-oxo-3-pyridinyl]oxy]-N-phenylacetamide
CID 52897996
1-(2-hydroxyethyl)-4-oxo-3-phenylmethoxy-N-propylpyridine-2-carboxamide
CID 143761971
1-[2-(2-methoxyethoxy)ethoxy]-2-methyl-3-phenylmethoxypyridin-4-one
CID 141410735
methyl 2-(2-methoxyethyl)-1,8-dioxo-9-phenylmethoxypyrido[1,2-a]pyrazine-7-carboxylate
CID 59600575
2-[(4-chlorophenyl)-hydroxymethyl]-1-(2-hydroxyethyl)-3-phenylmethoxypyridin-4-one
CID 21474316
2-ethyl-1-(2-fluoroethyl)-3-phenylmethoxypyridin-4-one
CID 118407952
1-[(2S)-2-hydroxy-2-phenylethyl]-2-methyl-3-phenylmethoxypyridin-4-one
CID 170560126
1-(2-hydroxyethyl)-2-methyl-3-phenylmethoxypyridin-4-one;3-hydroxy-1-(2-hydroxyethyl)-2-methylpyridin-4-one
CID 158779776
1-[5-(benzylamino)pentyl]-2-methyl-3-phenylmethoxypyridin-4-one
CID 162669599
ethyl 1-amino-4-oxo-3-phenylmethoxypyridine-2-carboxylate
CID 134464571
1-[(2S)-2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-2-methyl-3-phenylmethoxypyridin-4-one
CID 170560153
2-[[1-(2-methoxyethyl)-2-oxo-3-phenylmethoxypyridine-4-carbonyl]amino]-6-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoic acid
CID 69383377

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-methoxyethyl)-4-oxo-3-phenylmethoxy-2-pyridinyl]propylcarbamic acid?
The IUPAC name of 1-[1-(2-methoxyethyl)-4-oxo-3-phenylmethoxy-2-pyridinyl]propylcarbamic acid (CID 87289982) is 1-[1-(2-methoxyethyl)-4-oxo-3-phenylmethoxy-2-pyridinyl]propylcarbamic acid.
What is the SMILES notation for 1-[1-(2-methoxyethyl)-4-oxo-3-phenylmethoxy-2-pyridinyl]propylcarbamic acid?
The canonical SMILES for 1-[1-(2-methoxyethyl)-4-oxo-3-phenylmethoxy-2-pyridinyl]propylcarbamic acid is CCC(NC(=O)O)c1c(OCc2ccccc2)c(=O)ccn1CCOC.
What is the InChIKey of 1-[1-(2-methoxyethyl)-4-oxo-3-phenylmethoxy-2-pyridinyl]propylcarbamic acid?
The InChIKey is ZSUSAMWHFYPFOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O5/c1-3-15(20-19(23)24)17-18(26-13-14-7-5-4-6-8-14)16(22)9-10-21(17)11-12-25-2/h4-10,15,20H,3,11-13H2,1-2H3,(H,23,24).
What are the key properties of 1-[1-(2-methoxyethyl)-4-oxo-3-phenylmethoxy-2-pyridinyl]propylcarbamic acid?
1-[1-(2-methoxyethyl)-4-oxo-3-phenylmethoxy-2-pyridinyl]propylcarbamic acid has a molecular weight of 360.41 g/mol, XLogP of 2.79, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-methoxyethyl)-4-oxo-3-phenylmethoxy-2-pyridinyl]propylcarbamic acid is sourced from PubChem (CID 87289982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).