N-(2-hydroxy-3-phenylmethoxypropyl)-N,2-dimethylpyridine-3-carboxamide

C18H22N2O3 — CID 111595938

IUPACN-(2-hydroxy-3-phenylmethoxypropyl)-N,2-dimethylpyridine-3-carboxamide
SMILESCc1ncccc1C(=O)N(C)CC(O)COCc1ccccc1
InChIInChI=1S/C18H22N2O3/c1-14-17(9-6-10-19-14)18(22)20(2)11-16(21)13-23-12-15-7-4-3-5-8-15/h3-10,16,21H,11-13H2,1-2H3
InChIKeyGZFYBZGSBCZHQM-UHFFFAOYSA-N
MW314.38 g/mol
LogP2.04
Rot. Bonds7

About N-(2-hydroxy-3-phenylmethoxypropyl)-N,2-dimethylpyridine-3-carboxamide

N-(2-hydroxy-3-phenylmethoxypropyl)-N,2-dimethylpyridine-3-carboxamide (PubChem CID 111595938) has the molecular formula C18H22N2O3 and a molecular weight of 314.38 g/mol. Its IUPAC name is N-(2-hydroxy-3-phenylmethoxypropyl)-N,2-dimethylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxy-3-phenylmethoxypropyl)-N,2-dimethylpyridine-3-carboxamide
PubChem CID111595938
Molecular FormulaC18H22N2O3
Molecular Weight314.38 g/mol
Exact Mass314.16
IUPAC NameN-(2-hydroxy-3-phenylmethoxypropyl)-N,2-dimethylpyridine-3-carboxamide
SMILESCc1ncccc1C(=O)N(C)CC(O)COCc1ccccc1
InChIInChI=1S/C18H22N2O3/c1-14-17(9-6-10-19-14)18(22)20(2)11-16(21)13-23-12-15-7-4-3-5-8-15/h3-10,16,21H,11-13H2,1-2H3
InChIKeyGZFYBZGSBCZHQM-UHFFFAOYSA-N
XLogP2.04
TPSA62.66 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.38
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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
2-fluoro-N-(2-hydroxy-3-phenylmethoxypropyl)-N,4-dimethylbenzamide
CID 111781994
6-[(2-hydroxy-3-phenylmethoxypropyl)-methylcarbamoyl]pyridine-2-carboxylic acid
CID 119182403
N-(2-hydroxy-3-phenylmethoxypropyl)-N-methyl-1-oxidopyridin-1-ium-3-carboxamide
CID 111595977
2-(aminomethyl)-N-(2-hydroxy-3-phenylmethoxypropyl)-N-methyl-1,3-thiazole-4-carboxamide
CID 119749056
N-(2-hydroxy-3-methoxypropyl)-2-methoxy-N-methylpyridine-3-carboxamide
CID 54993522
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
(2R)-1-[methyl(2,2,2-trifluoroethyl)amino]-3-phenylmethoxypropan-2-ol
CID 95356220

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-3-phenylmethoxypropyl)-N,2-dimethylpyridine-3-carboxamide?
The IUPAC name of N-(2-hydroxy-3-phenylmethoxypropyl)-N,2-dimethylpyridine-3-carboxamide (CID 111595938) is N-(2-hydroxy-3-phenylmethoxypropyl)-N,2-dimethylpyridine-3-carboxamide.
What is the SMILES notation for N-(2-hydroxy-3-phenylmethoxypropyl)-N,2-dimethylpyridine-3-carboxamide?
The canonical SMILES for N-(2-hydroxy-3-phenylmethoxypropyl)-N,2-dimethylpyridine-3-carboxamide is Cc1ncccc1C(=O)N(C)CC(O)COCc1ccccc1.
What is the InChIKey of N-(2-hydroxy-3-phenylmethoxypropyl)-N,2-dimethylpyridine-3-carboxamide?
The InChIKey is GZFYBZGSBCZHQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O3/c1-14-17(9-6-10-19-14)18(22)20(2)11-16(21)13-23-12-15-7-4-3-5-8-15/h3-10,16,21H,11-13H2,1-2H3.
What are the key properties of N-(2-hydroxy-3-phenylmethoxypropyl)-N,2-dimethylpyridine-3-carboxamide?
N-(2-hydroxy-3-phenylmethoxypropyl)-N,2-dimethylpyridine-3-carboxamide has a molecular weight of 314.38 g/mol, XLogP of 2.04, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-3-phenylmethoxypropyl)-N,2-dimethylpyridine-3-carboxamide is sourced from PubChem (CID 111595938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).