N-(1-pyridin-4-ylethylideneamino)-4-pyrrol-1-ylbenzamide

C18H16N4O — CID 3606783

IUPACN-(1-pyridin-4-ylethylideneamino)-4-pyrrol-1-ylbenzamide
SMILESCC(=NNC(=O)c1ccc(-n2cccc2)cc1)c1ccncc1
InChIInChI=1S/C18H16N4O/c1-14(15-8-10-19-11-9-15)20-21-18(23)16-4-6-17(7-5-16)22-12-2-3-13-22/h2-13H,1H3,(H,21,23)
InChIKeyPPEJCSQTVSCOJW-UHFFFAOYSA-N
MW304.35 g/mol
LogP3.03
Rot. Bonds4

About N-(1-pyridin-4-ylethylideneamino)-4-pyrrol-1-ylbenzamide

N-(1-pyridin-4-ylethylideneamino)-4-pyrrol-1-ylbenzamide (PubChem CID 3606783) has the molecular formula C18H16N4O and a molecular weight of 304.35 g/mol. Its IUPAC name is N-(1-pyridin-4-ylethylideneamino)-4-pyrrol-1-ylbenzamide.

Molecular Properties

Compound NameN-(1-pyridin-4-ylethylideneamino)-4-pyrrol-1-ylbenzamide
PubChem CID3606783
Molecular FormulaC18H16N4O
Molecular Weight304.35 g/mol
Exact Mass304.13
IUPAC NameN-(1-pyridin-4-ylethylideneamino)-4-pyrrol-1-ylbenzamide
SMILESCC(=NNC(=O)c1ccc(-n2cccc2)cc1)c1ccncc1
InChIInChI=1S/C18H16N4O/c1-14(15-8-10-19-11-9-15)20-21-18(23)16-4-6-17(7-5-16)22-12-2-3-13-22/h2-13H,1H3,(H,21,23)
InChIKeyPPEJCSQTVSCOJW-UHFFFAOYSA-N
XLogP3.03
TPSA59.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-(4-hydroxyphenyl)ethylideneamino]-4-pyrrol-1-ylbenzamide
CID 136690135
N-[(E)-1-pyridin-4-ylethylideneamino]pyridine-4-carboxamide
CID 5402716
N-[(Z)-1-(4-methoxyphenyl)ethylideneamino]-4-pyrrol-1-ylbenzamide
CID 5412321
N-[(Z)-1-(4-tert-butylphenyl)ethylideneamino]pyridine-4-carboxamide
CID 5394794
[4-[(E)-C-methyl-N-[(4-pyrrol-1-ylbenzoyl)amino]carbonimidoyl]phenyl] benzoate
CID 19659089
N-[2-[(4-pyrrol-1-ylbenzoyl)amino]ethyl]pyridine-4-carboxamide
CID 108542296
N-[1-[4-(2-amino-2-oxoethoxy)phenyl]ethylideneamino]-4-pyrrol-1-ylbenzamide
CID 4590770
N-[(E)-1-(4-hydroxy-3-methoxyphenyl)ethylideneamino]-4-pyrrol-1-ylbenzamide
CID 135554267
N-[(E)-1-[4-[(4-fluorobenzoyl)amino]phenyl]ethylideneamino]pyridine-4-carboxamide
CID 25237502
N-[(Z)-1-[4-[(4-fluorobenzoyl)amino]phenyl]ethylideneamino]pyridine-4-carboxamide
CID 39818795
2-methyl-N-[(E)-1-pyridin-4-ylethylideneamino]pyrazole-3-carboxamide
CID 45133713
3,4,5-trihydroxy-N-(1-pyridin-4-ylethylideneamino)benzamide
CID 903912

Frequently Asked Questions

What is the IUPAC name of N-(1-pyridin-4-ylethylideneamino)-4-pyrrol-1-ylbenzamide?
The IUPAC name of N-(1-pyridin-4-ylethylideneamino)-4-pyrrol-1-ylbenzamide (CID 3606783) is N-(1-pyridin-4-ylethylideneamino)-4-pyrrol-1-ylbenzamide.
What is the SMILES notation for N-(1-pyridin-4-ylethylideneamino)-4-pyrrol-1-ylbenzamide?
The canonical SMILES for N-(1-pyridin-4-ylethylideneamino)-4-pyrrol-1-ylbenzamide is CC(=NNC(=O)c1ccc(-n2cccc2)cc1)c1ccncc1.
What is the InChIKey of N-(1-pyridin-4-ylethylideneamino)-4-pyrrol-1-ylbenzamide?
The InChIKey is PPEJCSQTVSCOJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N4O/c1-14(15-8-10-19-11-9-15)20-21-18(23)16-4-6-17(7-5-16)22-12-2-3-13-22/h2-13H,1H3,(H,21,23).
What are the key properties of N-(1-pyridin-4-ylethylideneamino)-4-pyrrol-1-ylbenzamide?
N-(1-pyridin-4-ylethylideneamino)-4-pyrrol-1-ylbenzamide has a molecular weight of 304.35 g/mol, XLogP of 3.03, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-pyridin-4-ylethylideneamino)-4-pyrrol-1-ylbenzamide is sourced from PubChem (CID 3606783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).