N-[[3-hydroxy-4-[(4-methylphenyl)methylamino]oxolan-2-yl]methyl]pyridine-4-carboxamide

C19H23N3O3 — CID 162812543

IUPACN-[[3-hydroxy-4-[(4-methylphenyl)methylamino]oxolan-2-yl]methyl]pyridine-4-carboxamide
SMILESCc1ccc(CNC2COC(CNC(=O)c3ccncc3)C2O)cc1
InChIInChI=1S/C19H23N3O3/c1-13-2-4-14(5-3-13)10-21-16-12-25-17(18(16)23)11-22-19(24)15-6-8-20-9-7-15/h2-9,16-18,21,23H,10-12H2,1H3,(H,22,24)
InChIKeyDZGCLABWJITLAK-UHFFFAOYSA-N
MW341.41 g/mol
LogP1.04
Rot. Bonds6

About N-[[3-hydroxy-4-[(4-methylphenyl)methylamino]oxolan-2-yl]methyl]pyridine-4-carboxamide

N-[[3-hydroxy-4-[(4-methylphenyl)methylamino]oxolan-2-yl]methyl]pyridine-4-carboxamide (PubChem CID 162812543) has the molecular formula C19H23N3O3 and a molecular weight of 341.41 g/mol. Its IUPAC name is N-[[3-hydroxy-4-[(4-methylphenyl)methylamino]oxolan-2-yl]methyl]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[[3-hydroxy-4-[(4-methylphenyl)methylamino]oxolan-2-yl]methyl]pyridine-4-carboxamide
PubChem CID162812543
Molecular FormulaC19H23N3O3
Molecular Weight341.41 g/mol
Exact Mass341.17
IUPAC NameN-[[3-hydroxy-4-[(4-methylphenyl)methylamino]oxolan-2-yl]methyl]pyridine-4-carboxamide
SMILESCc1ccc(CNC2COC(CNC(=O)c3ccncc3)C2O)cc1
InChIInChI=1S/C19H23N3O3/c1-13-2-4-14(5-3-13)10-21-16-12-25-17(18(16)23)11-22-19(24)15-6-8-20-9-7-15/h2-9,16-18,21,23H,10-12H2,1H3,(H,22,24)
InChIKeyDZGCLABWJITLAK-UHFFFAOYSA-N
XLogP1.04
TPSA83.48 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 51.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze N-[[3-hydroxy-4-[(4-methylphenyl)methylamino]oxolan-2-yl]methyl]pyridine-4-carboxamide 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

4-[[[(3R,4S,5R)-4-hydroxy-5-[(pyridine-4-carbonylamino)methyl]oxolan-3-yl]amino]methyl]benzoic acid
CID 75536797
N-[[3-hydroxy-4-[(4-methylsulfonylphenyl)methylamino]oxolan-2-yl]methyl]pyridine-4-carboxamide
CID 162789942
4-fluoro-N-[[(2R,3S,4R)-4-[(4-fluorophenyl)methylamino]-3-hydroxyoxolan-2-yl]methyl]benzamide
CID 75536640
N-[[(2R,3S,4R)-4-[(4-fluorophenyl)methylamino]-3-hydroxyoxolan-2-yl]methyl]benzamide
CID 75536621
N-[[(2R,3S,4R)-4-(benzylamino)-3-hydroxyoxolan-2-yl]methyl]-4-fluorobenzamide
CID 75536639
N-[[(2R,3S,4R)-3-hydroxy-4-(oxan-4-ylamino)oxolan-2-yl]methyl]pyridine-4-carboxamide
CID 75536789
N-[[(2R,3S,4R)-4-(benzylamino)-3-hydroxyoxolan-2-yl]methyl]thiophene-2-carboxamide
CID 75536598
4-fluoro-N-[[(2R,3S,4R)-3-hydroxy-4-[(1-methylimidazol-2-yl)methylamino]oxolan-2-yl]methyl]benzamide
CID 75536647
N-[[(2R,3S,4R)-4-(2,2-dimethylpropylamino)-3-hydroxyoxolan-2-yl]methyl]benzamide
CID 75367085
N-[[4-[(4-fluorophenyl)methylamino]-3-hydroxyoxolan-2-yl]methyl]cyclopropanecarboxamide
CID 162789965
4-fluoro-N-[[(2R,3S,4R)-4-[(2-fluorophenyl)methylamino]-3-hydroxyoxolan-2-yl]methyl]benzamide
CID 75536649
N-[[3-hydroxy-4-[(4-methylsulfonylphenyl)methylamino]oxolan-2-yl]methyl]-2-methoxyacetamide
CID 162970604

Frequently Asked Questions

What is the IUPAC name of N-[[3-hydroxy-4-[(4-methylphenyl)methylamino]oxolan-2-yl]methyl]pyridine-4-carboxamide?
The IUPAC name of N-[[3-hydroxy-4-[(4-methylphenyl)methylamino]oxolan-2-yl]methyl]pyridine-4-carboxamide (CID 162812543) is N-[[3-hydroxy-4-[(4-methylphenyl)methylamino]oxolan-2-yl]methyl]pyridine-4-carboxamide.
What is the SMILES notation for N-[[3-hydroxy-4-[(4-methylphenyl)methylamino]oxolan-2-yl]methyl]pyridine-4-carboxamide?
The canonical SMILES for N-[[3-hydroxy-4-[(4-methylphenyl)methylamino]oxolan-2-yl]methyl]pyridine-4-carboxamide is Cc1ccc(CNC2COC(CNC(=O)c3ccncc3)C2O)cc1.
What is the InChIKey of N-[[3-hydroxy-4-[(4-methylphenyl)methylamino]oxolan-2-yl]methyl]pyridine-4-carboxamide?
The InChIKey is DZGCLABWJITLAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O3/c1-13-2-4-14(5-3-13)10-21-16-12-25-17(18(16)23)11-22-19(24)15-6-8-20-9-7-15/h2-9,16-18,21,23H,10-12H2,1H3,(H,22,24).
What are the key properties of N-[[3-hydroxy-4-[(4-methylphenyl)methylamino]oxolan-2-yl]methyl]pyridine-4-carboxamide?
N-[[3-hydroxy-4-[(4-methylphenyl)methylamino]oxolan-2-yl]methyl]pyridine-4-carboxamide has a molecular weight of 341.41 g/mol, XLogP of 1.04, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-hydroxy-4-[(4-methylphenyl)methylamino]oxolan-2-yl]methyl]pyridine-4-carboxamide is sourced from PubChem (CID 162812543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).