6-[(2-hydroxy-3-phenylmethoxypropyl)-methylcarbamoyl]pyridine-2-carboxylic acid

C18H20N2O5 — CID 119182403

IUPAC6-[(2-hydroxy-3-phenylmethoxypropyl)-methylcarbamoyl]pyridine-2-carboxylic acid
SMILESCN(CC(O)COCc1ccccc1)C(=O)c1cccc(C(=O)O)n1
InChIInChI=1S/C18H20N2O5/c1-20(17(22)15-8-5-9-16(19-15)18(23)24)10-14(21)12-25-11-13-6-3-2-4-7-13/h2-9,14,21H,10-12H2,1H3,(H,23,24)
InChIKeyLRKAVZRIZMXQIT-UHFFFAOYSA-N
MW344.37 g/mol
LogP1.43
Rot. Bonds8

About 6-[(2-hydroxy-3-phenylmethoxypropyl)-methylcarbamoyl]pyridine-2-carboxylic acid

6-[(2-hydroxy-3-phenylmethoxypropyl)-methylcarbamoyl]pyridine-2-carboxylic acid (PubChem CID 119182403) has the molecular formula C18H20N2O5 and a molecular weight of 344.37 g/mol. Its IUPAC name is 6-[(2-hydroxy-3-phenylmethoxypropyl)-methylcarbamoyl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-[(2-hydroxy-3-phenylmethoxypropyl)-methylcarbamoyl]pyridine-2-carboxylic acid
PubChem CID119182403
Molecular FormulaC18H20N2O5
Molecular Weight344.37 g/mol
Exact Mass344.14
IUPAC Name6-[(2-hydroxy-3-phenylmethoxypropyl)-methylcarbamoyl]pyridine-2-carboxylic acid
SMILESCN(CC(O)COCc1ccccc1)C(=O)c1cccc(C(=O)O)n1
InChIInChI=1S/C18H20N2O5/c1-20(17(22)15-8-5-9-16(19-15)18(23)24)10-14(21)12-25-11-13-6-3-2-4-7-13/h2-9,14,21H,10-12H2,1H3,(H,23,24)
InChIKeyLRKAVZRIZMXQIT-UHFFFAOYSA-N
XLogP1.43
TPSA99.96 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.37
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(aminomethyl)-N-(2-hydroxy-3-phenylmethoxypropyl)-N-methyl-1,3-thiazole-4-carboxamide
CID 119749056
N-(2-hydroxy-3-phenylmethoxypropyl)-N,2-dimethylpyridine-3-carboxamide
CID 111595938
N-(2-hydroxy-3-phenylmethoxypropyl)-N,4-dimethylthiophene-3-carboxamide
CID 111781993
N-(2-hydroxy-3-phenylmethoxypropyl)-N,2,5-trimethylfuran-3-carboxamide
CID 111595929
N-(2-hydroxy-3-phenylmethoxypropyl)-N-methyl-1-oxidopyridin-1-ium-3-carboxamide
CID 111595977
2-fluoro-N-(2-hydroxy-3-phenylmethoxypropyl)-N,4-dimethylbenzamide
CID 111781994
4-[(2-hydroxy-3-phenylmethoxypropyl)-methylcarbamoyl]cyclohexane-1-carboxylic acid
CID 120673100
N-(2-hydroxy-3-phenylmethoxypropyl)-N-methylbicyclo[3.1.0]hexane-6-carboxamide
CID 111781995
1-[methyl(propyl)amino]-3-phenylmethoxypropan-2-ol
CID 62064652
3-(2-chlorophenyl)-1-(2-hydroxy-3-phenylmethoxypropyl)-1-methylurea
CID 47079416
3-(3-acetylphenyl)-1-[(2S)-2-hydroxy-3-phenylmethoxypropyl]-1-methylurea
CID 52511984
3-(1-ethylpyrazol-4-yl)-1-(2-hydroxy-3-phenylmethoxypropyl)-1-methylurea
CID 47079454

Frequently Asked Questions

What is the IUPAC name of 6-[(2-hydroxy-3-phenylmethoxypropyl)-methylcarbamoyl]pyridine-2-carboxylic acid?
The IUPAC name of 6-[(2-hydroxy-3-phenylmethoxypropyl)-methylcarbamoyl]pyridine-2-carboxylic acid (CID 119182403) is 6-[(2-hydroxy-3-phenylmethoxypropyl)-methylcarbamoyl]pyridine-2-carboxylic acid.
What is the SMILES notation for 6-[(2-hydroxy-3-phenylmethoxypropyl)-methylcarbamoyl]pyridine-2-carboxylic acid?
The canonical SMILES for 6-[(2-hydroxy-3-phenylmethoxypropyl)-methylcarbamoyl]pyridine-2-carboxylic acid is CN(CC(O)COCc1ccccc1)C(=O)c1cccc(C(=O)O)n1.
What is the InChIKey of 6-[(2-hydroxy-3-phenylmethoxypropyl)-methylcarbamoyl]pyridine-2-carboxylic acid?
The InChIKey is LRKAVZRIZMXQIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O5/c1-20(17(22)15-8-5-9-16(19-15)18(23)24)10-14(21)12-25-11-13-6-3-2-4-7-13/h2-9,14,21H,10-12H2,1H3,(H,23,24).
What are the key properties of 6-[(2-hydroxy-3-phenylmethoxypropyl)-methylcarbamoyl]pyridine-2-carboxylic acid?
6-[(2-hydroxy-3-phenylmethoxypropyl)-methylcarbamoyl]pyridine-2-carboxylic acid has a molecular weight of 344.37 g/mol, XLogP of 1.43, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2-hydroxy-3-phenylmethoxypropyl)-methylcarbamoyl]pyridine-2-carboxylic acid is sourced from PubChem (CID 119182403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).