N-(dipyridin-2-ylmethylideneamino)-3,4-dimethoxybenzamide

C20H18N4O3 — CID 162738459

IUPACN-(dipyridin-2-ylmethylideneamino)-3,4-dimethoxybenzamide
SMILESCOc1ccc(C(=O)NN=C(c2ccccn2)c2ccccn2)cc1OC
InChIInChI=1S/C20H18N4O3/c1-26-17-10-9-14(13-18(17)27-2)20(25)24-23-19(15-7-3-5-11-21-15)16-8-4-6-12-22-16/h3-13H,1-2H3,(H,24,25)
InChIKeyOBXZBRALTYYUMA-UHFFFAOYSA-N
MW362.39 g/mol
LogP2.68
Rot. Bonds6

About N-(dipyridin-2-ylmethylideneamino)-3,4-dimethoxybenzamide

N-(dipyridin-2-ylmethylideneamino)-3,4-dimethoxybenzamide (PubChem CID 162738459) has the molecular formula C20H18N4O3 and a molecular weight of 362.39 g/mol. Its IUPAC name is N-(dipyridin-2-ylmethylideneamino)-3,4-dimethoxybenzamide.

Molecular Properties

Compound NameN-(dipyridin-2-ylmethylideneamino)-3,4-dimethoxybenzamide
PubChem CID162738459
Molecular FormulaC20H18N4O3
Molecular Weight362.39 g/mol
Exact Mass362.14
IUPAC NameN-(dipyridin-2-ylmethylideneamino)-3,4-dimethoxybenzamide
SMILESCOc1ccc(C(=O)NN=C(c2ccccn2)c2ccccn2)cc1OC
InChIInChI=1S/C20H18N4O3/c1-26-17-10-9-14(13-18(17)27-2)20(25)24-23-19(15-7-3-5-11-21-15)16-8-4-6-12-22-16/h3-13H,1-2H3,(H,24,25)
InChIKeyOBXZBRALTYYUMA-UHFFFAOYSA-N
XLogP2.68
TPSA85.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.39
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-(dipyridin-2-ylmethylideneamino)-3,4-dimethoxybenzamide 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

3-methoxy-N-[[phenyl(pyridin-2-yl)methylidene]amino]benzamide
CID 840468
4-amino-N-(dipyridin-2-ylmethylideneamino)benzamide
CID 5232709
3,4-dimethoxy-N-[[4-oxo-4-(pyridin-2-ylamino)butan-2-ylidene]amino]benzamide
CID 3101285
4-methyl-N-[[phenyl(pyridin-2-yl)methylidene]amino]benzamide
CID 4586185
3,4,5-triethoxy-N-[[phenyl(pyridin-2-yl)methylidene]amino]benzamide
CID 4059850
N-[4,5-dimethoxy-2-(pyridine-2-carbonylamino)phenyl]pyridine-2-carboxamide
CID 102266460
3,4-dimethoxy-N-(1-phenylbutylideneamino)benzamide
CID 3988968
3,5-dimethoxy-N-[(Z)-1-pyridin-2-ylethylideneamino]benzamide
CID 9461008
N'-[4-(difluoromethoxy)-3-methoxybenzoyl]pyridine-2-carbohydrazide
CID 9332711
N-[1-(2,3,4-trimethoxyphenyl)ethylideneamino]pyridine-2-carboxamide
CID 768102
N-[(E)-1-(4-methoxy-3-nitrophenyl)ethylideneamino]pyridine-2-carboxamide
CID 5335115
methyl N-[[phenyl(pyridin-2-yl)methylidene]amino]carbamate
CID 5103078

Frequently Asked Questions

What is the IUPAC name of N-(dipyridin-2-ylmethylideneamino)-3,4-dimethoxybenzamide?
The IUPAC name of N-(dipyridin-2-ylmethylideneamino)-3,4-dimethoxybenzamide (CID 162738459) is N-(dipyridin-2-ylmethylideneamino)-3,4-dimethoxybenzamide.
What is the SMILES notation for N-(dipyridin-2-ylmethylideneamino)-3,4-dimethoxybenzamide?
The canonical SMILES for N-(dipyridin-2-ylmethylideneamino)-3,4-dimethoxybenzamide is COc1ccc(C(=O)NN=C(c2ccccn2)c2ccccn2)cc1OC.
What is the InChIKey of N-(dipyridin-2-ylmethylideneamino)-3,4-dimethoxybenzamide?
The InChIKey is OBXZBRALTYYUMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4O3/c1-26-17-10-9-14(13-18(17)27-2)20(25)24-23-19(15-7-3-5-11-21-15)16-8-4-6-12-22-16/h3-13H,1-2H3,(H,24,25).
What are the key properties of N-(dipyridin-2-ylmethylideneamino)-3,4-dimethoxybenzamide?
N-(dipyridin-2-ylmethylideneamino)-3,4-dimethoxybenzamide has a molecular weight of 362.39 g/mol, XLogP of 2.68, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(dipyridin-2-ylmethylideneamino)-3,4-dimethoxybenzamide is sourced from PubChem (CID 162738459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).