N-[(E)-pyridin-3-ylmethylideneamino]-4-pyrrol-1-ylbenzamide

C17H14N4O — CID 6875109

IUPACN-[(E)-pyridin-3-ylmethylideneamino]-4-pyrrol-1-ylbenzamide
SMILESO=C(N/N=C/c1cccnc1)c1ccc(-n2cccc2)cc1
InChIInChI=1S/C17H14N4O/c22-17(20-19-13-14-4-3-9-18-12-14)15-5-7-16(8-6-15)21-10-1-2-11-21/h1-13H,(H,20,22)/b19-13+
InChIKeyNPZACKLMHLTJRC-CPNJWEJPSA-N
MW290.33 g/mol
LogP2.64
Rot. Bonds4

About N-[(E)-pyridin-3-ylmethylideneamino]-4-pyrrol-1-ylbenzamide

N-[(E)-pyridin-3-ylmethylideneamino]-4-pyrrol-1-ylbenzamide (PubChem CID 6875109) has the molecular formula C17H14N4O and a molecular weight of 290.33 g/mol. Its IUPAC name is N-[(E)-pyridin-3-ylmethylideneamino]-4-pyrrol-1-ylbenzamide.

Molecular Properties

Compound NameN-[(E)-pyridin-3-ylmethylideneamino]-4-pyrrol-1-ylbenzamide
PubChem CID6875109
Molecular FormulaC17H14N4O
Molecular Weight290.33 g/mol
Exact Mass290.12
IUPAC NameN-[(E)-pyridin-3-ylmethylideneamino]-4-pyrrol-1-ylbenzamide
SMILESO=C(N/N=C/c1cccnc1)c1ccc(-n2cccc2)cc1
InChIInChI=1S/C17H14N4O/c22-17(20-19-13-14-4-3-9-18-12-14)15-5-7-16(8-6-15)21-10-1-2-11-21/h1-13H,(H,20,22)/b19-13+
InChIKeyNPZACKLMHLTJRC-CPNJWEJPSA-N
XLogP2.64
TPSA59.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.33
LogP ≤ 52.64
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

4-(2,5-dimethylpyrrol-1-yl)-N-(pyridin-3-ylmethylideneamino)benzamide
CID 3478263
6-methyl-N-[(Z)-pyridin-3-ylmethylideneamino]pyridine-3-carboxamide
CID 6070249
N-[[3-[(pyridine-3-carbonylhydrazinylidene)methyl]phenyl]methylideneamino]pyridine-3-carboxamide
CID 1379516
4-(propanoylamino)-N-[(E)-pyridin-3-ylmethylideneamino]benzamide
CID 6875653
2-N,5-N-bis(pyridin-3-ylmethylideneamino)furan-2,5-dicarboxamide
CID 4674781
3-chloro-4-methyl-N-(pyridin-3-ylmethylideneamino)benzamide
CID 1072497
3-(pyrazol-1-ylmethyl)-N-[(Z)-pyridin-3-ylmethylideneamino]benzamide
CID 5397773
2-methyl-N-[(Z)-pyridin-3-ylmethylideneamino]pyridine-4-carboxamide
CID 24839706
3-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]-N-[(E)-pyridin-3-ylmethylideneamino]benzamide
CID 88862096
4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-(pyridin-3-ylmethylideneamino)benzamide
CID 724393
4-[(4-methylphenyl)sulfonylamino]-N-(pyridin-3-ylmethylideneamino)benzamide
CID 3278229
4-pyrrol-1-yl-N-[(E)-[3-[2-[2-(4-pyrrol-1-ylbenzoyl)hydrazinyl]ethyl]phenyl]methylideneamino]benzamide
CID 172933397

Frequently Asked Questions

What is the IUPAC name of N-[(E)-pyridin-3-ylmethylideneamino]-4-pyrrol-1-ylbenzamide?
The IUPAC name of N-[(E)-pyridin-3-ylmethylideneamino]-4-pyrrol-1-ylbenzamide (CID 6875109) is N-[(E)-pyridin-3-ylmethylideneamino]-4-pyrrol-1-ylbenzamide.
What is the SMILES notation for N-[(E)-pyridin-3-ylmethylideneamino]-4-pyrrol-1-ylbenzamide?
The canonical SMILES for N-[(E)-pyridin-3-ylmethylideneamino]-4-pyrrol-1-ylbenzamide is O=C(N/N=C/c1cccnc1)c1ccc(-n2cccc2)cc1.
What is the InChIKey of N-[(E)-pyridin-3-ylmethylideneamino]-4-pyrrol-1-ylbenzamide?
The InChIKey is NPZACKLMHLTJRC-CPNJWEJPSA-N. The full InChI is InChI=1S/C17H14N4O/c22-17(20-19-13-14-4-3-9-18-12-14)15-5-7-16(8-6-15)21-10-1-2-11-21/h1-13H,(H,20,22)/b19-13+.
What are the key properties of N-[(E)-pyridin-3-ylmethylideneamino]-4-pyrrol-1-ylbenzamide?
N-[(E)-pyridin-3-ylmethylideneamino]-4-pyrrol-1-ylbenzamide has a molecular weight of 290.33 g/mol, XLogP of 2.64, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-pyridin-3-ylmethylideneamino]-4-pyrrol-1-ylbenzamide is sourced from PubChem (CID 6875109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).