N-[2,3-dihydroxy-3-(5-phenylmethoxy-3-pyridinyl)propyl]acetamide

C17H20N2O4 — CID 170831077

IUPACN-[2,3-dihydroxy-3-(5-phenylmethoxy-3-pyridinyl)propyl]acetamide
SMILESCC(=O)NCC(O)C(O)c1cncc(OCc2ccccc2)c1
InChIInChI=1S/C17H20N2O4/c1-12(20)19-10-16(21)17(22)14-7-15(9-18-8-14)23-11-13-5-3-2-4-6-13/h2-9,16-17,21-22H,10-11H2,1H3,(H,19,20)
InChIKeyKVGLETNYCWSHEO-UHFFFAOYSA-N
MW316.36 g/mol
LogP1.19
Rot. Bonds7

About N-[2,3-dihydroxy-3-(5-phenylmethoxy-3-pyridinyl)propyl]acetamide

N-[2,3-dihydroxy-3-(5-phenylmethoxy-3-pyridinyl)propyl]acetamide (PubChem CID 170831077) has the molecular formula C17H20N2O4 and a molecular weight of 316.36 g/mol. Its IUPAC name is N-[2,3-dihydroxy-3-(5-phenylmethoxy-3-pyridinyl)propyl]acetamide.

Molecular Properties

Compound NameN-[2,3-dihydroxy-3-(5-phenylmethoxy-3-pyridinyl)propyl]acetamide
PubChem CID170831077
Molecular FormulaC17H20N2O4
Molecular Weight316.36 g/mol
Exact Mass316.14
IUPAC NameN-[2,3-dihydroxy-3-(5-phenylmethoxy-3-pyridinyl)propyl]acetamide
SMILESCC(=O)NCC(O)C(O)c1cncc(OCc2ccccc2)c1
InChIInChI=1S/C17H20N2O4/c1-12(20)19-10-16(21)17(22)14-7-15(9-18-8-14)23-11-13-5-3-2-4-6-13/h2-9,16-17,21-22H,10-11H2,1H3,(H,19,20)
InChIKeyKVGLETNYCWSHEO-UHFFFAOYSA-N
XLogP1.19
TPSA91.68 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 51.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze N-[2,3-dihydroxy-3-(5-phenylmethoxy-3-pyridinyl)propyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

benzyl N-[2,3-dihydroxy-3-(3-phenylmethoxyphenyl)propyl]carbamate
CID 171856933
N-[3-(5-bromo-3-pyridinyl)-2,3-dihydroxypropyl]acetamide
CID 170831115
methyl 5-(3-acetamido-1,2-dihydroxypropyl)pyridine-3-carboxylate
CID 170830510
N-(2,3-dihydroxy-3-pyrimidin-5-ylpropyl)acetamide
CID 170829458
benzyl N-[2,3-dihydroxy-3-[5-(trifluoromethyl)-3-pyridinyl]propyl]carbamate
CID 171856324
N-[3-(4-benzylphenyl)-2,3-dihydroxypropyl]acetamide
CID 170831226
3-pentan-2-yl-5-phenylmethoxypyridine
CID 166644961
N-[2,3-dihydroxy-3-[5-(trifluoromethyl)-3-pyridinyl]propyl]acetamide
CID 170830460
methyl 5-phenylmethoxypyridine-3-carboxylate
CID 57421820
benzyl N-(2,3-dihydroxy-3-quinolin-3-ylpropyl)carbamate
CID 171856136
N-methyl-5-phenylmethoxypyridine-3-carboxamide
CID 123214761
N-[3-[4-[(2-fluorophenyl)methoxy]phenyl]-2,3-dihydroxypropyl]acetamide
CID 170831246

Frequently Asked Questions

What is the IUPAC name of N-[2,3-dihydroxy-3-(5-phenylmethoxy-3-pyridinyl)propyl]acetamide?
The IUPAC name of N-[2,3-dihydroxy-3-(5-phenylmethoxy-3-pyridinyl)propyl]acetamide (CID 170831077) is N-[2,3-dihydroxy-3-(5-phenylmethoxy-3-pyridinyl)propyl]acetamide.
What is the SMILES notation for N-[2,3-dihydroxy-3-(5-phenylmethoxy-3-pyridinyl)propyl]acetamide?
The canonical SMILES for N-[2,3-dihydroxy-3-(5-phenylmethoxy-3-pyridinyl)propyl]acetamide is CC(=O)NCC(O)C(O)c1cncc(OCc2ccccc2)c1.
What is the InChIKey of N-[2,3-dihydroxy-3-(5-phenylmethoxy-3-pyridinyl)propyl]acetamide?
The InChIKey is KVGLETNYCWSHEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O4/c1-12(20)19-10-16(21)17(22)14-7-15(9-18-8-14)23-11-13-5-3-2-4-6-13/h2-9,16-17,21-22H,10-11H2,1H3,(H,19,20).
What are the key properties of N-[2,3-dihydroxy-3-(5-phenylmethoxy-3-pyridinyl)propyl]acetamide?
N-[2,3-dihydroxy-3-(5-phenylmethoxy-3-pyridinyl)propyl]acetamide has a molecular weight of 316.36 g/mol, XLogP of 1.19, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,3-dihydroxy-3-(5-phenylmethoxy-3-pyridinyl)propyl]acetamide is sourced from PubChem (CID 170831077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).