3-(dimethylamino)-N-[(E)-(1-methylpyrrol-2-yl)methylideneamino]benzamide

C15H18N4O — CID 6875121

IUPAC3-(dimethylamino)-N-[(E)-(1-methylpyrrol-2-yl)methylideneamino]benzamide
SMILESCN(C)c1cccc(C(=O)N/N=C/c2cccn2C)c1
InChIInChI=1S/C15H18N4O/c1-18(2)13-7-4-6-12(10-13)15(20)17-16-11-14-8-5-9-19(14)3/h4-11H,1-3H3,(H,17,20)/b16-11+
InChIKeyWRNRISXLJYORIF-LFIBNONCSA-N
MW270.34 g/mol
LogP1.86
Rot. Bonds4

About 3-(dimethylamino)-N-[(E)-(1-methylpyrrol-2-yl)methylideneamino]benzamide

3-(dimethylamino)-N-[(E)-(1-methylpyrrol-2-yl)methylideneamino]benzamide (PubChem CID 6875121) has the molecular formula C15H18N4O and a molecular weight of 270.34 g/mol. Its IUPAC name is 3-(dimethylamino)-N-[(E)-(1-methylpyrrol-2-yl)methylideneamino]benzamide.

Molecular Properties

Compound Name3-(dimethylamino)-N-[(E)-(1-methylpyrrol-2-yl)methylideneamino]benzamide
PubChem CID6875121
Molecular FormulaC15H18N4O
Molecular Weight270.34 g/mol
Exact Mass270.15
IUPAC Name3-(dimethylamino)-N-[(E)-(1-methylpyrrol-2-yl)methylideneamino]benzamide
SMILESCN(C)c1cccc(C(=O)N/N=C/c2cccn2C)c1
InChIInChI=1S/C15H18N4O/c1-18(2)13-7-4-6-12(10-13)15(20)17-16-11-14-8-5-9-19(14)3/h4-11H,1-3H3,(H,17,20)/b16-11+
InChIKeyWRNRISXLJYORIF-LFIBNONCSA-N
XLogP1.86
TPSA49.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.34
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_pyrrol(64)', 'substructure': 'N/A'}, {'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-(3-bromophenyl)pyrrol-2-yl]methylideneamino]-3-(dimethylamino)benzamide
CID 126027034
3-(dimethylamino)-N-[(2-hydroxyphenyl)methylideneamino]benzamide
CID 137065890
5-methyl-N-[(1-methylpyrrol-2-yl)methylideneamino]thiophene-3-carboxamide
CID 4062300
N-[(1-methylpyrrol-2-yl)methylideneamino]pyridine-3-carboxamide
CID 760108
N-[(Z)-(5-bromothiophen-2-yl)methylideneamino]-3-(dimethylamino)benzamide
CID 126003739
N-[(E)-(3,4-dihydroxyphenyl)methylideneamino]-3-(dimethylamino)benzamide
CID 135982630
[(E)-(1-methylpyrrol-2-yl)methylideneamino]carbamic acid
CID 23220001
3-(dimethylamino)-N-[(Z)-(3-methylthiophen-2-yl)methylideneamino]benzamide
CID 5455221
3-(dimethylamino)-N-[(Z)-(4-hydroxy-3-iodophenyl)methylideneamino]benzamide
CID 137050197
2-chloro-3-[(E)-[[3-(dimethylamino)benzoyl]hydrazinylidene]methyl]benzoic acid
CID 138041436
N-[(E)-(2,6-difluoro-3-hydroxyphenyl)methylideneamino]-3-(dimethylamino)benzamide
CID 138043810
N-[(E)-(1-methylpyrrol-2-yl)methylideneamino]thiophene-2-carboxamide
CID 6880392

Frequently Asked Questions

What is the IUPAC name of 3-(dimethylamino)-N-[(E)-(1-methylpyrrol-2-yl)methylideneamino]benzamide?
The IUPAC name of 3-(dimethylamino)-N-[(E)-(1-methylpyrrol-2-yl)methylideneamino]benzamide (CID 6875121) is 3-(dimethylamino)-N-[(E)-(1-methylpyrrol-2-yl)methylideneamino]benzamide.
What is the SMILES notation for 3-(dimethylamino)-N-[(E)-(1-methylpyrrol-2-yl)methylideneamino]benzamide?
The canonical SMILES for 3-(dimethylamino)-N-[(E)-(1-methylpyrrol-2-yl)methylideneamino]benzamide is CN(C)c1cccc(C(=O)N/N=C/c2cccn2C)c1.
What is the InChIKey of 3-(dimethylamino)-N-[(E)-(1-methylpyrrol-2-yl)methylideneamino]benzamide?
The InChIKey is WRNRISXLJYORIF-LFIBNONCSA-N. The full InChI is InChI=1S/C15H18N4O/c1-18(2)13-7-4-6-12(10-13)15(20)17-16-11-14-8-5-9-19(14)3/h4-11H,1-3H3,(H,17,20)/b16-11+.
What are the key properties of 3-(dimethylamino)-N-[(E)-(1-methylpyrrol-2-yl)methylideneamino]benzamide?
3-(dimethylamino)-N-[(E)-(1-methylpyrrol-2-yl)methylideneamino]benzamide has a molecular weight of 270.34 g/mol, XLogP of 1.86, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethylamino)-N-[(E)-(1-methylpyrrol-2-yl)methylideneamino]benzamide is sourced from PubChem (CID 6875121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).