N-[(2R)-3-(1,3-benzodioxol-5-yloxy)-2-hydroxypropyl]pyridine-4-carboxamide

C16H16N2O5 — CID 94796566

IUPACN-[(2R)-3-(1,3-benzodioxol-5-yloxy)-2-hydroxypropyl]pyridine-4-carboxamide
SMILESO=C(NC[C@@H](O)COc1ccc2c(c1)OCO2)c1ccncc1
InChIInChI=1S/C16H16N2O5/c19-12(8-18-16(20)11-3-5-17-6-4-11)9-21-13-1-2-14-15(7-13)23-10-22-14/h1-7,12,19H,8-10H2,(H,18,20)/t12-/m1/s1
InChIKeyJIBCZJROVXFUDE-GFCCVEGCSA-N
MW316.31 g/mol
LogP0.98
Rot. Bonds6

About N-[(2R)-3-(1,3-benzodioxol-5-yloxy)-2-hydroxypropyl]pyridine-4-carboxamide

N-[(2R)-3-(1,3-benzodioxol-5-yloxy)-2-hydroxypropyl]pyridine-4-carboxamide (PubChem CID 94796566) has the molecular formula C16H16N2O5 and a molecular weight of 316.31 g/mol. Its IUPAC name is N-[(2R)-3-(1,3-benzodioxol-5-yloxy)-2-hydroxypropyl]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[(2R)-3-(1,3-benzodioxol-5-yloxy)-2-hydroxypropyl]pyridine-4-carboxamide
PubChem CID94796566
Molecular FormulaC16H16N2O5
Molecular Weight316.31 g/mol
Exact Mass316.11
IUPAC NameN-[(2R)-3-(1,3-benzodioxol-5-yloxy)-2-hydroxypropyl]pyridine-4-carboxamide
SMILESO=C(NC[C@@H](O)COc1ccc2c(c1)OCO2)c1ccncc1
InChIInChI=1S/C16H16N2O5/c19-12(8-18-16(20)11-3-5-17-6-4-11)9-21-13-1-2-14-15(7-13)23-10-22-14/h1-7,12,19H,8-10H2,(H,18,20)/t12-/m1/s1
InChIKeyJIBCZJROVXFUDE-GFCCVEGCSA-N
XLogP0.98
TPSA89.91 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.31
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[(2R)-3-(1,3-benzodioxol-5-yloxy)-2-hydroxypropyl]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

N-[(2S)-3-(1,3-benzodioxol-5-yloxy)-2-hydroxypropyl]-2-chlorobenzamide
CID 94799470
N-[(2R)-3-(1,3-benzodioxol-5-yloxy)-2-hydroxypropyl]-2-(4-chlorophenyl)acetamide
CID 52505208
4-amino-N-[3-(1,3-benzodioxol-5-yloxy)-2-hydroxypropyl]butanamide
CID 119305084
N-[(2R)-3-(1,3-benzodioxol-5-yloxy)-2-hydroxypropyl]-2-oxo-1,3,4,5-tetrahydro-1-benzazepine-7-carboxamide
CID 97079170
N-[3-(1,3-benzodioxol-5-yloxy)-2-hydroxypropyl]-2-(cyclopropylmethylamino)acetamide;hydrochloride
CID 119751804
1-[3-(1,3-benzodioxol-5-yloxy)-2-hydroxypropyl]-3-(3-fluorophenyl)urea
CID 51102218
N-[3-(1,3-benzodioxol-5-yloxy)-2-hydroxypropyl]-2-(4-cyanophenoxy)acetamide
CID 47930494
N-[3-(1,3-benzodioxol-5-yloxy)-2-hydroxypropyl]-2-chloro-4-nitrobenzamide
CID 47930521
N-[3-(1,3-benzodioxol-5-yloxy)-2-hydroxypropyl]-4-(4-chlorophenoxy)butanamide
CID 47929884
2-amino-N-[3-(1,3-benzodioxol-5-yloxy)-2-hydroxypropyl]-2-methylpentanamide
CID 119751829
N-[3-(1,3-benzodioxol-5-yloxy)-2-hydroxypropyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119305067
N-(1,3-benzodioxol-5-ylmethyl)pyridine-4-carboxamide
CID 2089022

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-3-(1,3-benzodioxol-5-yloxy)-2-hydroxypropyl]pyridine-4-carboxamide?
The IUPAC name of N-[(2R)-3-(1,3-benzodioxol-5-yloxy)-2-hydroxypropyl]pyridine-4-carboxamide (CID 94796566) is N-[(2R)-3-(1,3-benzodioxol-5-yloxy)-2-hydroxypropyl]pyridine-4-carboxamide.
What is the SMILES notation for N-[(2R)-3-(1,3-benzodioxol-5-yloxy)-2-hydroxypropyl]pyridine-4-carboxamide?
The canonical SMILES for N-[(2R)-3-(1,3-benzodioxol-5-yloxy)-2-hydroxypropyl]pyridine-4-carboxamide is O=C(NC[C@@H](O)COc1ccc2c(c1)OCO2)c1ccncc1.
What is the InChIKey of N-[(2R)-3-(1,3-benzodioxol-5-yloxy)-2-hydroxypropyl]pyridine-4-carboxamide?
The InChIKey is JIBCZJROVXFUDE-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H16N2O5/c19-12(8-18-16(20)11-3-5-17-6-4-11)9-21-13-1-2-14-15(7-13)23-10-22-14/h1-7,12,19H,8-10H2,(H,18,20)/t12-/m1/s1.
What are the key properties of N-[(2R)-3-(1,3-benzodioxol-5-yloxy)-2-hydroxypropyl]pyridine-4-carboxamide?
N-[(2R)-3-(1,3-benzodioxol-5-yloxy)-2-hydroxypropyl]pyridine-4-carboxamide has a molecular weight of 316.31 g/mol, XLogP of 0.98, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-3-(1,3-benzodioxol-5-yloxy)-2-hydroxypropyl]pyridine-4-carboxamide is sourced from PubChem (CID 94796566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).