N'-[(2,3,4-trimethoxyphenyl)methyl]pyridine-4-carbohydrazide

C16H19N3O4 — CID 155927209

IUPACN'-[(2,3,4-trimethoxyphenyl)methyl]pyridine-4-carbohydrazide
SMILESCOc1ccc(CNNC(=O)c2ccncc2)c(OC)c1OC
InChIInChI=1S/C16H19N3O4/c1-21-13-5-4-12(14(22-2)15(13)23-3)10-18-19-16(20)11-6-8-17-9-7-11/h4-9,18H,10H2,1-3H3,(H,19,20)
InChIKeyDWRQDROOJAEODU-UHFFFAOYSA-N
MW317.35 g/mol
LogP1.54
Rot. Bonds7

About N'-[(2,3,4-trimethoxyphenyl)methyl]pyridine-4-carbohydrazide

N'-[(2,3,4-trimethoxyphenyl)methyl]pyridine-4-carbohydrazide (PubChem CID 155927209) has the molecular formula C16H19N3O4 and a molecular weight of 317.35 g/mol. Its IUPAC name is N'-[(2,3,4-trimethoxyphenyl)methyl]pyridine-4-carbohydrazide.

Molecular Properties

Compound NameN'-[(2,3,4-trimethoxyphenyl)methyl]pyridine-4-carbohydrazide
PubChem CID155927209
Molecular FormulaC16H19N3O4
Molecular Weight317.35 g/mol
Exact Mass317.14
IUPAC NameN'-[(2,3,4-trimethoxyphenyl)methyl]pyridine-4-carbohydrazide
SMILESCOc1ccc(CNNC(=O)c2ccncc2)c(OC)c1OC
InChIInChI=1S/C16H19N3O4/c1-21-13-5-4-12(14(22-2)15(13)23-3)10-18-19-16(20)11-6-8-17-9-7-11/h4-9,18H,10H2,1-3H3,(H,19,20)
InChIKeyDWRQDROOJAEODU-UHFFFAOYSA-N
XLogP1.54
TPSA81.71 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.35
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N'-[(2,3,4-trimethoxyphenyl)methyl]pyridine-3-carbohydrazide
CID 155927926
N-[(2,3,4-trimethoxyphenyl)methyl]acetamide
CID 18425632
N'-(1H-indol-3-ylmethyl)pyridine-4-carbohydrazide
CID 127025469
N'-[(1S)-4,5-dimethoxy-3-oxo-1H-2-benzofuran-1-yl]pyridine-4-carbohydrazide
CID 950585
2,2,2-trichloro-N-[(2,3,4-trimethoxyphenyl)methyl]acetamide
CID 67538566
4-methyl-N-[(2,3,4-trimethoxyphenyl)methyl]pyridin-3-amine
CID 63329305
3-[(2,3,4-trimethoxyphenyl)methylamino]propanamide
CID 43553337
N,N-dimethyl-2-[(2,3,4-trimethoxyphenyl)methylamino]acetamide
CID 43214462
2-bromo-N-[(2,3,4-trimethoxyphenyl)methyl]benzamide
CID 46591375
oxalic acid;1-phenyl-N-[(2,3,4-trimethoxyphenyl)methyl]methanamine
CID 17052977
4-amino-N-[(2,3,4-trimethoxyphenyl)methyl]butanamide
CID 119285338
N-propan-2-yl-2-[(2,3,4-trimethoxyphenyl)methylamino]acetamide
CID 43400025

Frequently Asked Questions

What is the IUPAC name of N'-[(2,3,4-trimethoxyphenyl)methyl]pyridine-4-carbohydrazide?
The IUPAC name of N'-[(2,3,4-trimethoxyphenyl)methyl]pyridine-4-carbohydrazide (CID 155927209) is N'-[(2,3,4-trimethoxyphenyl)methyl]pyridine-4-carbohydrazide.
What is the SMILES notation for N'-[(2,3,4-trimethoxyphenyl)methyl]pyridine-4-carbohydrazide?
The canonical SMILES for N'-[(2,3,4-trimethoxyphenyl)methyl]pyridine-4-carbohydrazide is COc1ccc(CNNC(=O)c2ccncc2)c(OC)c1OC.
What is the InChIKey of N'-[(2,3,4-trimethoxyphenyl)methyl]pyridine-4-carbohydrazide?
The InChIKey is DWRQDROOJAEODU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O4/c1-21-13-5-4-12(14(22-2)15(13)23-3)10-18-19-16(20)11-6-8-17-9-7-11/h4-9,18H,10H2,1-3H3,(H,19,20).
What are the key properties of N'-[(2,3,4-trimethoxyphenyl)methyl]pyridine-4-carbohydrazide?
N'-[(2,3,4-trimethoxyphenyl)methyl]pyridine-4-carbohydrazide has a molecular weight of 317.35 g/mol, XLogP of 1.54, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(2,3,4-trimethoxyphenyl)methyl]pyridine-4-carbohydrazide is sourced from PubChem (CID 155927209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).