N'-[(1R)-1-[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]ethyl]pyridine-3-carbohydrazide

C16H17N3O3 — CID 867983

IUPACN'-[(1R)-1-[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]ethyl]pyridine-3-carbohydrazide
SMILESC[C@@H](NNC(=O)c1cccnc1)[C@@H]1COc2ccccc2O1
InChIInChI=1S/C16H17N3O3/c1-11(18-19-16(20)12-5-4-8-17-9-12)15-10-21-13-6-2-3-7-14(13)22-15/h2-9,11,15,18H,10H2,1H3,(H,19,20)/t11-,15+/m1/s1
InChIKeyKTYXGRPFRLHLAW-ABAIWWIYSA-N
MW299.33 g/mol
LogP1.54
Rot. Bonds4

About N'-[(1R)-1-[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]ethyl]pyridine-3-carbohydrazide

N'-[(1R)-1-[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]ethyl]pyridine-3-carbohydrazide (PubChem CID 867983) has the molecular formula C16H17N3O3 and a molecular weight of 299.33 g/mol. Its IUPAC name is N'-[(1R)-1-[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]ethyl]pyridine-3-carbohydrazide.

Molecular Properties

Compound NameN'-[(1R)-1-[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]ethyl]pyridine-3-carbohydrazide
PubChem CID867983
Molecular FormulaC16H17N3O3
Molecular Weight299.33 g/mol
Exact Mass299.13
IUPAC NameN'-[(1R)-1-[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]ethyl]pyridine-3-carbohydrazide
SMILESC[C@@H](NNC(=O)c1cccnc1)[C@@H]1COc2ccccc2O1
InChIInChI=1S/C16H17N3O3/c1-11(18-19-16(20)12-5-4-8-17-9-12)15-10-21-13-6-2-3-7-14(13)22-15/h2-9,11,15,18H,10H2,1H3,(H,19,20)/t11-,15+/m1/s1
InChIKeyKTYXGRPFRLHLAW-ABAIWWIYSA-N
XLogP1.54
TPSA72.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.33
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-chloro-N-[1-(2,3-dihydro-1,4-benzodioxin-3-yl)ethyl]acetamide
CID 3135715
N-[(1S)-1-[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]ethyl]furan-2-carboxamide
CID 878326
N-(3,4-dihydro-2H-chromen-3-yl)pyridine-3-carboxamide
CID 110751511
N,N'-bis[1-(2,3-dihydro-1,4-benzodioxin-3-yl)ethyl]ethane-1,2-diamine
CID 3051001
N-[(1S)-1-[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]ethyl]-N'-[(1R)-1-[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]ethyl]decanediamide
CID 7564254
N-[(1R)-1-[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]ethyl]-4-(2-methylpropoxy)benzamide
CID 1120179
N-[(1S)-1-[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]ethyl]-4-(2-methylpropoxy)benzamide
CID 1120176
N-[(1R)-1-[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]ethyl]-4-propoxybenzamide
CID 7105997
N-[(1R)-1-[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]ethyl]-3-phenoxypropanamide
CID 746117
N-[1-(2,3-dihydro-1,4-benzodioxin-3-yl)ethyl]-4-prop-2-enoxybenzamide
CID 2852148
N'-[2-(2,6-dimethylmorpholin-4-yl)-3-methylbutanoyl]pyridine-3-carbohydrazide
CID 60592519
N-[(1S)-1-[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]ethyl]benzenesulfonamide
CID 778794

Frequently Asked Questions

What is the IUPAC name of N'-[(1R)-1-[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]ethyl]pyridine-3-carbohydrazide?
The IUPAC name of N'-[(1R)-1-[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]ethyl]pyridine-3-carbohydrazide (CID 867983) is N'-[(1R)-1-[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]ethyl]pyridine-3-carbohydrazide.
What is the SMILES notation for N'-[(1R)-1-[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]ethyl]pyridine-3-carbohydrazide?
The canonical SMILES for N'-[(1R)-1-[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]ethyl]pyridine-3-carbohydrazide is C[C@@H](NNC(=O)c1cccnc1)[C@@H]1COc2ccccc2O1.
What is the InChIKey of N'-[(1R)-1-[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]ethyl]pyridine-3-carbohydrazide?
The InChIKey is KTYXGRPFRLHLAW-ABAIWWIYSA-N. The full InChI is InChI=1S/C16H17N3O3/c1-11(18-19-16(20)12-5-4-8-17-9-12)15-10-21-13-6-2-3-7-14(13)22-15/h2-9,11,15,18H,10H2,1H3,(H,19,20)/t11-,15+/m1/s1.
What are the key properties of N'-[(1R)-1-[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]ethyl]pyridine-3-carbohydrazide?
N'-[(1R)-1-[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]ethyl]pyridine-3-carbohydrazide has a molecular weight of 299.33 g/mol, XLogP of 1.54, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(1R)-1-[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]ethyl]pyridine-3-carbohydrazide is sourced from PubChem (CID 867983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).