N-[1-(2,5-dimethoxyphenyl)ethylideneamino]pyridine-2-carboxamide

C16H17N3O3 — CID 5238816

IUPACN-[1-(2,5-dimethoxyphenyl)ethylideneamino]pyridine-2-carboxamide
SMILESCOc1ccc(OC)c(C(C)=NNC(=O)c2ccccn2)c1
InChIInChI=1S/C16H17N3O3/c1-11(13-10-12(21-2)7-8-15(13)22-3)18-19-16(20)14-6-4-5-9-17-14/h4-10H,1-3H3,(H,19,20)
InChIKeyBHIOAHXGXZUWJI-UHFFFAOYSA-N
MW299.33 g/mol
LogP2.25
Rot. Bonds5

About N-[1-(2,5-dimethoxyphenyl)ethylideneamino]pyridine-2-carboxamide

N-[1-(2,5-dimethoxyphenyl)ethylideneamino]pyridine-2-carboxamide (PubChem CID 5238816) has the molecular formula C16H17N3O3 and a molecular weight of 299.33 g/mol. Its IUPAC name is N-[1-(2,5-dimethoxyphenyl)ethylideneamino]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[1-(2,5-dimethoxyphenyl)ethylideneamino]pyridine-2-carboxamide
PubChem CID5238816
Molecular FormulaC16H17N3O3
Molecular Weight299.33 g/mol
Exact Mass299.13
IUPAC NameN-[1-(2,5-dimethoxyphenyl)ethylideneamino]pyridine-2-carboxamide
SMILESCOc1ccc(OC)c(C(C)=NNC(=O)c2ccccn2)c1
InChIInChI=1S/C16H17N3O3/c1-11(13-10-12(21-2)7-8-15(13)22-3)18-19-16(20)14-6-4-5-9-17-14/h4-10H,1-3H3,(H,19,20)
InChIKeyBHIOAHXGXZUWJI-UHFFFAOYSA-N
XLogP2.25
TPSA72.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.33
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[1-(2,3,4-trimethoxyphenyl)ethylideneamino]pyridine-2-carboxamide
CID 768102
N'-(2,5-dimethoxybenzoyl)pyridine-2-carbohydrazide
CID 8573468
N-[(Z)-1-(2,5-dimethoxyphenyl)ethylideneamino]-4-methoxybenzamide
CID 9359358
N-[(Z)-1-(2,5-dimethoxyphenyl)ethylideneamino]-1H-indole-3-carboxamide
CID 6260157
3,5-dimethoxy-N-[(Z)-1-pyridin-2-ylethylideneamino]benzamide
CID 9461008
N-[(Z)-1-(2,5-dimethoxyphenyl)ethylideneamino]furan-2-carboxamide
CID 9175469
N-[(E)-1-(4-methoxy-3-nitrophenyl)ethylideneamino]pyridine-2-carboxamide
CID 5335115
N-[(Z)-1-(2,4-dichlorophenyl)ethylideneamino]pyridine-2-carboxamide
CID 5402845
N-[(3-methoxyphenyl)methylideneamino]pyridine-2-carboxamide
CID 761649
2,5-dimethoxy-N-[(Z)-pyridin-2-ylmethylideneamino]benzamide
CID 5414466
N-(dipyridin-2-ylmethylideneamino)-3,4-dimethoxybenzamide
CID 162738459
2-[4-[(Z)-C-methyl-N-(pyridine-2-carbonylamino)carbonimidoyl]phenoxy]acetic acid
CID 9015476

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,5-dimethoxyphenyl)ethylideneamino]pyridine-2-carboxamide?
The IUPAC name of N-[1-(2,5-dimethoxyphenyl)ethylideneamino]pyridine-2-carboxamide (CID 5238816) is N-[1-(2,5-dimethoxyphenyl)ethylideneamino]pyridine-2-carboxamide.
What is the SMILES notation for N-[1-(2,5-dimethoxyphenyl)ethylideneamino]pyridine-2-carboxamide?
The canonical SMILES for N-[1-(2,5-dimethoxyphenyl)ethylideneamino]pyridine-2-carboxamide is COc1ccc(OC)c(C(C)=NNC(=O)c2ccccn2)c1.
What is the InChIKey of N-[1-(2,5-dimethoxyphenyl)ethylideneamino]pyridine-2-carboxamide?
The InChIKey is BHIOAHXGXZUWJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O3/c1-11(13-10-12(21-2)7-8-15(13)22-3)18-19-16(20)14-6-4-5-9-17-14/h4-10H,1-3H3,(H,19,20).
What are the key properties of N-[1-(2,5-dimethoxyphenyl)ethylideneamino]pyridine-2-carboxamide?
N-[1-(2,5-dimethoxyphenyl)ethylideneamino]pyridine-2-carboxamide has a molecular weight of 299.33 g/mol, XLogP of 2.25, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,5-dimethoxyphenyl)ethylideneamino]pyridine-2-carboxamide is sourced from PubChem (CID 5238816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).