N-[(2S)-2,3-dihydroxypropyl]-3-(2,6-dimethyl-3-pyridinyl)-5-fluorobenzamide

C17H19FN2O3 — CID 169418400

IUPACN-[(2S)-2,3-dihydroxypropyl]-3-(2,6-dimethyl-3-pyridinyl)-5-fluorobenzamide
SMILESCc1ccc(-c2cc(F)cc(C(=O)NC[C@H](O)CO)c2)c(C)n1
InChIInChI=1S/C17H19FN2O3/c1-10-3-4-16(11(2)20-10)12-5-13(7-14(18)6-12)17(23)19-8-15(22)9-21/h3-7,15,21-22H,8-9H2,1-2H3,(H,19,23)/t15-/m0/s1
InChIKeyFEMAXWRTMMNLOF-HNNXBMFYSA-N
MW318.35 g/mol
LogP1.59
Rot. Bonds5

About N-[(2S)-2,3-dihydroxypropyl]-3-(2,6-dimethyl-3-pyridinyl)-5-fluorobenzamide

N-[(2S)-2,3-dihydroxypropyl]-3-(2,6-dimethyl-3-pyridinyl)-5-fluorobenzamide (PubChem CID 169418400) has the molecular formula C17H19FN2O3 and a molecular weight of 318.35 g/mol. Its IUPAC name is N-[(2S)-2,3-dihydroxypropyl]-3-(2,6-dimethyl-3-pyridinyl)-5-fluorobenzamide.

Molecular Properties

Compound NameN-[(2S)-2,3-dihydroxypropyl]-3-(2,6-dimethyl-3-pyridinyl)-5-fluorobenzamide
PubChem CID169418400
Molecular FormulaC17H19FN2O3
Molecular Weight318.35 g/mol
Exact Mass318.14
IUPAC NameN-[(2S)-2,3-dihydroxypropyl]-3-(2,6-dimethyl-3-pyridinyl)-5-fluorobenzamide
SMILESCc1ccc(-c2cc(F)cc(C(=O)NC[C@H](O)CO)c2)c(C)n1
InChIInChI=1S/C17H19FN2O3/c1-10-3-4-16(11(2)20-10)12-5-13(7-14(18)6-12)17(23)19-8-15(22)9-21/h3-7,15,21-22H,8-9H2,1-2H3,(H,19,23)/t15-/m0/s1
InChIKeyFEMAXWRTMMNLOF-HNNXBMFYSA-N
XLogP1.59
TPSA82.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.35
LogP ≤ 51.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze N-[(2S)-2,3-dihydroxypropyl]-3-(2,6-dimethyl-3-pyridinyl)-5-fluorobenzamide 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

5-acetyl-1-N,3-N-bis(2,3-dihydroxypropyl)benzene-1,3-dicarboxamide
CID 153358046
N-(2,3-dihydroxypropyl)-3,4-difluorobenzamide
CID 66176013
5-acetyl-1-N,3-N-bis(2,3-dihydroxypropyl)benzene-1,3-dicarboxamide;ethane
CID 153358045
N-[3-(4-fluorophenoxy)-2-hydroxypropyl]-2,6-dimethylpyridine-3-carboxamide
CID 111110985
N-[(2S)-2,3-dihydroxypropyl]-3-methylbenzamide
CID 40653428
5-chloro-N-(2,3-dihydroxypropyl)-2-fluorobenzamide
CID 66175370
2,6-dimethyl-N-(3,3,3-trifluoro-2-hydroxypropyl)pyridine-3-carboxamide
CID 103726330
N-(3-hydroxy-2-methylpropyl)-2,6-dimethylpyridine-3-carboxamide
CID 65034246
3-(3-cyano-4,6-dimethyl-2-pyridinyl)-N-[(2R)-2,3-dihydroxypropyl]benzamide
CID 126449084
N-(2,3-dihydroxypropyl)pyridine-4-carboxamide
CID 66176252
N-(2,3-dihydroxypropyl)-5-methylfuran-3-carboxamide
CID 114821790
ethyl (2R)-2-amino-3-[[3-(2-ethylphenyl)-5-fluorobenzoyl]amino]propanoate
CID 164527000

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2,3-dihydroxypropyl]-3-(2,6-dimethyl-3-pyridinyl)-5-fluorobenzamide?
The IUPAC name of N-[(2S)-2,3-dihydroxypropyl]-3-(2,6-dimethyl-3-pyridinyl)-5-fluorobenzamide (CID 169418400) is N-[(2S)-2,3-dihydroxypropyl]-3-(2,6-dimethyl-3-pyridinyl)-5-fluorobenzamide.
What is the SMILES notation for N-[(2S)-2,3-dihydroxypropyl]-3-(2,6-dimethyl-3-pyridinyl)-5-fluorobenzamide?
The canonical SMILES for N-[(2S)-2,3-dihydroxypropyl]-3-(2,6-dimethyl-3-pyridinyl)-5-fluorobenzamide is Cc1ccc(-c2cc(F)cc(C(=O)NC[C@H](O)CO)c2)c(C)n1.
What is the InChIKey of N-[(2S)-2,3-dihydroxypropyl]-3-(2,6-dimethyl-3-pyridinyl)-5-fluorobenzamide?
The InChIKey is FEMAXWRTMMNLOF-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H19FN2O3/c1-10-3-4-16(11(2)20-10)12-5-13(7-14(18)6-12)17(23)19-8-15(22)9-21/h3-7,15,21-22H,8-9H2,1-2H3,(H,19,23)/t15-/m0/s1.
What are the key properties of N-[(2S)-2,3-dihydroxypropyl]-3-(2,6-dimethyl-3-pyridinyl)-5-fluorobenzamide?
N-[(2S)-2,3-dihydroxypropyl]-3-(2,6-dimethyl-3-pyridinyl)-5-fluorobenzamide has a molecular weight of 318.35 g/mol, XLogP of 1.59, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2,3-dihydroxypropyl]-3-(2,6-dimethyl-3-pyridinyl)-5-fluorobenzamide is sourced from PubChem (CID 169418400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).