N-[bis(4-methoxyphenyl)methylideneamino]pyridine-4-carboxamide

C21H19N3O3 — CID 24839653

IUPACN-[bis(4-methoxyphenyl)methylideneamino]pyridine-4-carboxamide
SMILESCOc1ccc(C(=NNC(=O)c2ccncc2)c2ccc(OC)cc2)cc1
InChIInChI=1S/C21H19N3O3/c1-26-18-7-3-15(4-8-18)20(16-5-9-19(27-2)10-6-16)23-24-21(25)17-11-13-22-14-12-17/h3-14H,1-2H3,(H,24,25)
InChIKeyOWVDLMLNGAVEGG-UHFFFAOYSA-N
MW361.40 g/mol
LogP3.28
Rot. Bonds6

About N-[bis(4-methoxyphenyl)methylideneamino]pyridine-4-carboxamide

N-[bis(4-methoxyphenyl)methylideneamino]pyridine-4-carboxamide (PubChem CID 24839653) has the molecular formula C21H19N3O3 and a molecular weight of 361.40 g/mol. Its IUPAC name is N-[bis(4-methoxyphenyl)methylideneamino]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[bis(4-methoxyphenyl)methylideneamino]pyridine-4-carboxamide
PubChem CID24839653
Molecular FormulaC21H19N3O3
Molecular Weight361.40 g/mol
Exact Mass361.14
IUPAC NameN-[bis(4-methoxyphenyl)methylideneamino]pyridine-4-carboxamide
SMILESCOc1ccc(C(=NNC(=O)c2ccncc2)c2ccc(OC)cc2)cc1
InChIInChI=1S/C21H19N3O3/c1-26-18-7-3-15(4-8-18)20(16-5-9-19(27-2)10-6-16)23-24-21(25)17-11-13-22-14-12-17/h3-14H,1-2H3,(H,24,25)
InChIKeyOWVDLMLNGAVEGG-UHFFFAOYSA-N
XLogP3.28
TPSA72.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.40
LogP ≤ 53.28
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-[(Z)-1-(6-methoxynaphthalen-2-yl)ethylideneamino]pyridine-4-carboxamide
CID 6173282
N-[[(4-bromophenyl)-phenylmethylidene]amino]-4-methoxybenzamide
CID 2288457
2-(4-methoxyphenyl)-N-[[phenyl(pyridin-4-yl)methylidene]amino]acetamide
CID 840449
2-methoxy-N-[[phenyl(pyridin-4-yl)methylidene]amino]benzamide;hydrochloride
CID 88671183
N-(benzhydrylideneamino)hydroxylamine;4-methoxypyridine
CID 161458787
4-methoxy-N-[1-[6-[N-[(4-methoxybenzoyl)amino]-C-methylcarbonimidoyl]-2-pyridinyl]ethylideneamino]benzamide
CID 155923428
N-[[4-[2-(4-methoxyphenyl)ethylamino]-4-oxobutan-2-ylidene]amino]pyridine-4-carboxamide
CID 4585260
N-[(E)-1-pyridin-4-ylethylideneamino]pyridine-4-carboxamide
CID 5402716
N-[bis(4-methoxyphenyl)methylideneamino]-3-hydroxynaphthalene-2-carboxamide
CID 71673973
N-[2-(4-methoxyphenyl)propan-2-yl]pyridine-4-carboxamide
CID 110444865
methyl (3Z)-3-[(4-methoxybenzoyl)hydrazinylidene]butanoate
CID 23268418
4-[1,2,2-tris(4-methoxyphenyl)ethenyl]pyridine
CID 121329846

Frequently Asked Questions

What is the IUPAC name of N-[bis(4-methoxyphenyl)methylideneamino]pyridine-4-carboxamide?
The IUPAC name of N-[bis(4-methoxyphenyl)methylideneamino]pyridine-4-carboxamide (CID 24839653) is N-[bis(4-methoxyphenyl)methylideneamino]pyridine-4-carboxamide.
What is the SMILES notation for N-[bis(4-methoxyphenyl)methylideneamino]pyridine-4-carboxamide?
The canonical SMILES for N-[bis(4-methoxyphenyl)methylideneamino]pyridine-4-carboxamide is COc1ccc(C(=NNC(=O)c2ccncc2)c2ccc(OC)cc2)cc1.
What is the InChIKey of N-[bis(4-methoxyphenyl)methylideneamino]pyridine-4-carboxamide?
The InChIKey is OWVDLMLNGAVEGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O3/c1-26-18-7-3-15(4-8-18)20(16-5-9-19(27-2)10-6-16)23-24-21(25)17-11-13-22-14-12-17/h3-14H,1-2H3,(H,24,25).
What are the key properties of N-[bis(4-methoxyphenyl)methylideneamino]pyridine-4-carboxamide?
N-[bis(4-methoxyphenyl)methylideneamino]pyridine-4-carboxamide has a molecular weight of 361.40 g/mol, XLogP of 3.28, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[bis(4-methoxyphenyl)methylideneamino]pyridine-4-carboxamide is sourced from PubChem (CID 24839653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).