N-[amino(pyridin-4-yl)methylidene]-3-methoxy-4-methylbenzamide

C15H15N3O2 — CID 143910071

IUPACN-[amino(pyridin-4-yl)methylidene]-3-methoxy-4-methylbenzamide
SMILESCOc1cc(C(=O)/N=C(\N)c2ccncc2)ccc1C
InChIInChI=1S/C15H15N3O2/c1-10-3-4-12(9-13(10)20-2)15(19)18-14(16)11-5-7-17-8-6-11/h3-9H,1-2H3,(H2,16,18,19)
InChIKeyNZJDQOAPRCUGPL-UHFFFAOYSA-N
MW269.30 g/mol
LogP1.94
Rot. Bonds3

About N-[amino(pyridin-4-yl)methylidene]-3-methoxy-4-methylbenzamide

N-[amino(pyridin-4-yl)methylidene]-3-methoxy-4-methylbenzamide (PubChem CID 143910071) has the molecular formula C15H15N3O2 and a molecular weight of 269.30 g/mol. Its IUPAC name is N-[amino(pyridin-4-yl)methylidene]-3-methoxy-4-methylbenzamide.

Molecular Properties

Compound NameN-[amino(pyridin-4-yl)methylidene]-3-methoxy-4-methylbenzamide
PubChem CID143910071
Molecular FormulaC15H15N3O2
Molecular Weight269.30 g/mol
Exact Mass269.12
IUPAC NameN-[amino(pyridin-4-yl)methylidene]-3-methoxy-4-methylbenzamide
SMILESCOc1cc(C(=O)/N=C(\N)c2ccncc2)ccc1C
InChIInChI=1S/C15H15N3O2/c1-10-3-4-12(9-13(10)20-2)15(19)18-14(16)11-5-7-17-8-6-11/h3-9H,1-2H3,(H2,16,18,19)
InChIKeyNZJDQOAPRCUGPL-UHFFFAOYSA-N
XLogP1.94
TPSA77.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

[[amino(pyridin-4-yl)methylidene]amino] 3,4-dimethoxybenzoate
CID 3146337
3-methoxy-4-methyl-N-(1-pyridin-4-ylethyl)benzamide
CID 18160597
3-methoxy-4-methyl-N-(pyridin-4-ylmethyl)benzamide
CID 23530638
N-[amino(pyridin-4-yl)methylidene]-1,3-benzodioxole-5-carboxamide
CID 143910152
N-[amino(pyridin-4-yl)methylidene]-3-(dimethylamino)benzamide
CID 143910294
amino 3-methoxy-4-methylbenzoate
CID 175307316
3-(3-methoxy-4-methylphenyl)-3-oxo-2-pyridin-4-ylpropanenitrile
CID 80525107
N-[amino(pyridin-4-yl)methylidene]-2,4-diethoxybenzamide
CID 143910129
1-(3-methoxy-4-methylphenyl)propan-1-one
CID 71349712
N-[2-(2,5-dimethoxy-4-methylphenyl)ethyl]pyridine-4-carboxamide;hydrochloride
CID 110789665
[C-(3-methoxy-4-methylphenyl)-N-(3-methylpyridine-4-carboximidoyl)carbonimidoyl]oxidanium
CID 143910067
[[amino(pyridin-4-yl)methylidene]amino] 2-(3-methoxyphenoxy)acetate
CID 2861855

Frequently Asked Questions

What is the IUPAC name of N-[amino(pyridin-4-yl)methylidene]-3-methoxy-4-methylbenzamide?
The IUPAC name of N-[amino(pyridin-4-yl)methylidene]-3-methoxy-4-methylbenzamide (CID 143910071) is N-[amino(pyridin-4-yl)methylidene]-3-methoxy-4-methylbenzamide.
What is the SMILES notation for N-[amino(pyridin-4-yl)methylidene]-3-methoxy-4-methylbenzamide?
The canonical SMILES for N-[amino(pyridin-4-yl)methylidene]-3-methoxy-4-methylbenzamide is COc1cc(C(=O)/N=C(\N)c2ccncc2)ccc1C.
What is the InChIKey of N-[amino(pyridin-4-yl)methylidene]-3-methoxy-4-methylbenzamide?
The InChIKey is NZJDQOAPRCUGPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O2/c1-10-3-4-12(9-13(10)20-2)15(19)18-14(16)11-5-7-17-8-6-11/h3-9H,1-2H3,(H2,16,18,19).
What are the key properties of N-[amino(pyridin-4-yl)methylidene]-3-methoxy-4-methylbenzamide?
N-[amino(pyridin-4-yl)methylidene]-3-methoxy-4-methylbenzamide has a molecular weight of 269.30 g/mol, XLogP of 1.94, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[amino(pyridin-4-yl)methylidene]-3-methoxy-4-methylbenzamide is sourced from PubChem (CID 143910071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).