N-[(2R)-2,3-dihydroxypropyl]-5-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]amino]pyridine-2-carboxamide

C18H17FN4O4 — CID 155585279

IUPACN-[(2R)-2,3-dihydroxypropyl]-5-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]amino]pyridine-2-carboxamide
SMILESO=C(NC[C@@H](O)CO)c1ccc(Nc2ncc(-c3ccc(F)cc3)o2)cn1
InChIInChI=1S/C18H17FN4O4/c19-12-3-1-11(2-4-12)16-9-22-18(27-16)23-13-5-6-15(20-7-13)17(26)21-8-14(25)10-24/h1-7,9,14,24-25H,8,10H2,(H,21,26)(H,22,23)/t14-/m1/s1
InChIKeyKCMHCPJQNCKCMR-CQSZACIVSA-N
MW372.36 g/mol
LogP1.70
Rot. Bonds7

About N-[(2R)-2,3-dihydroxypropyl]-5-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]amino]pyridine-2-carboxamide

N-[(2R)-2,3-dihydroxypropyl]-5-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]amino]pyridine-2-carboxamide (PubChem CID 155585279) has the molecular formula C18H17FN4O4 and a molecular weight of 372.36 g/mol. Its IUPAC name is N-[(2R)-2,3-dihydroxypropyl]-5-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]amino]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[(2R)-2,3-dihydroxypropyl]-5-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]amino]pyridine-2-carboxamide
PubChem CID155585279
Molecular FormulaC18H17FN4O4
Molecular Weight372.36 g/mol
Exact Mass372.12
IUPAC NameN-[(2R)-2,3-dihydroxypropyl]-5-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]amino]pyridine-2-carboxamide
SMILESO=C(NC[C@@H](O)CO)c1ccc(Nc2ncc(-c3ccc(F)cc3)o2)cn1
InChIInChI=1S/C18H17FN4O4/c19-12-3-1-11(2-4-12)16-9-22-18(27-16)23-13-5-6-15(20-7-13)17(26)21-8-14(25)10-24/h1-7,9,14,24-25H,8,10H2,(H,21,26)(H,22,23)/t14-/m1/s1
InChIKeyKCMHCPJQNCKCMR-CQSZACIVSA-N
XLogP1.70
TPSA120.51 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.36
LogP ≤ 51.70
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Analyze N-[(2R)-2,3-dihydroxypropyl]-5-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]amino]pyridine-2-carboxamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2,3-dihydroxypropyl]-5-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]amino]pyridine-2-carboxamide?
The IUPAC name of N-[(2R)-2,3-dihydroxypropyl]-5-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]amino]pyridine-2-carboxamide (CID 155585279) is N-[(2R)-2,3-dihydroxypropyl]-5-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]amino]pyridine-2-carboxamide.
What is the SMILES notation for N-[(2R)-2,3-dihydroxypropyl]-5-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]amino]pyridine-2-carboxamide?
The canonical SMILES for N-[(2R)-2,3-dihydroxypropyl]-5-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]amino]pyridine-2-carboxamide is O=C(NC[C@@H](O)CO)c1ccc(Nc2ncc(-c3ccc(F)cc3)o2)cn1.
What is the InChIKey of N-[(2R)-2,3-dihydroxypropyl]-5-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]amino]pyridine-2-carboxamide?
The InChIKey is KCMHCPJQNCKCMR-CQSZACIVSA-N. The full InChI is InChI=1S/C18H17FN4O4/c19-12-3-1-11(2-4-12)16-9-22-18(27-16)23-13-5-6-15(20-7-13)17(26)21-8-14(25)10-24/h1-7,9,14,24-25H,8,10H2,(H,21,26)(H,22,23)/t14-/m1/s1.
What are the key properties of N-[(2R)-2,3-dihydroxypropyl]-5-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]amino]pyridine-2-carboxamide?
N-[(2R)-2,3-dihydroxypropyl]-5-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]amino]pyridine-2-carboxamide has a molecular weight of 372.36 g/mol, XLogP of 1.70, 7 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2,3-dihydroxypropyl]-5-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]amino]pyridine-2-carboxamide is sourced from PubChem (CID 155585279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).