4-amino-N-[3-[(1-methylpyridin-1-ium-4-yl)amino]phenyl]benzamide

C19H19N4O+ — CID 59457943

IUPAC4-amino-N-[3-[(1-methylpyridin-1-ium-4-yl)amino]phenyl]benzamide
SMILESC[n+]1ccc(Nc2cccc(NC(=O)c3ccc(N)cc3)c2)cc1
InChIInChI=1S/C19H18N4O/c1-23-11-9-16(10-12-23)21-17-3-2-4-18(13-17)22-19(24)14-5-7-15(20)8-6-14/h2-13H,1H3,(H3,20,22,24)/p+1
InChIKeyBMWXTODEZMASFK-UHFFFAOYSA-O
MW319.39 g/mol
LogP3.09
Rot. Bonds4

About 4-amino-N-[3-[(1-methylpyridin-1-ium-4-yl)amino]phenyl]benzamide

4-amino-N-[3-[(1-methylpyridin-1-ium-4-yl)amino]phenyl]benzamide (PubChem CID 59457943) has the molecular formula C19H19N4O+ and a molecular weight of 319.39 g/mol. Its IUPAC name is 4-amino-N-[3-[(1-methylpyridin-1-ium-4-yl)amino]phenyl]benzamide.

Molecular Properties

Compound Name4-amino-N-[3-[(1-methylpyridin-1-ium-4-yl)amino]phenyl]benzamide
PubChem CID59457943
Molecular FormulaC19H19N4O+
Molecular Weight319.39 g/mol
Exact Mass319.16
IUPAC Name4-amino-N-[3-[(1-methylpyridin-1-ium-4-yl)amino]phenyl]benzamide
SMILESC[n+]1ccc(Nc2cccc(NC(=O)c3ccc(N)cc3)c2)cc1
InChIInChI=1S/C19H18N4O/c1-23-11-9-16(10-12-23)21-17-3-2-4-18(13-17)22-19(24)14-5-7-15(20)8-6-14/h2-13H,1H3,(H3,20,22,24)/p+1
InChIKeyBMWXTODEZMASFK-UHFFFAOYSA-O
XLogP3.09
TPSA71.03 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.39
LogP ≤ 53.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

4-amino-N-[3-(pyridin-4-ylamino)phenyl]benzamide
CID 155404523
4-[(7-aminoquinolin-4-yl)amino]-N-[3-[(1-methylpyridin-1-ium-4-yl)amino]phenyl]benzamide
CID 24857954
3-amino-N-[3-[(4-aminobenzoyl)amino]phenyl]benzamide
CID 121331562
N-[4-[(6-aminoquinolin-1-ium-4-yl)amino]phenyl]-3-[(1-methylpyridin-1-ium-4-yl)amino]benzamide
CID 59457962
1-[3-(4-aminoanilino)phenyl]ethanone
CID 82287829
N-[3-[(2-amino-4-pyridinyl)amino]phenyl]-4-(pyridin-4-ylamino)benzamide
CID 157043383
N-[(3-acetamidophenyl)carbamoyl]-4-aminobenzamide
CID 108884186
2-N,6-N-bis[4-(4-aminoanilino)phenyl]naphthalene-2,6-dicarboxamide
CID 141400871
N-[4-(3-acetylanilino)phenyl]benzamide
CID 112988119
4-amino-N-[4-[4-[[4-(dimethylamino)benzoyl]amino]anilino]phenyl]benzamide
CID 129035701
N-[4-[(1-methylpyridin-1-ium-4-yl)amino]phenyl]-4-nitrobenzamide
CID 5109198
N-[3-[3-(4-aminophenyl)propanoylamino]phenyl]-4-tert-butylbenzamide
CID 54795397

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[3-[(1-methylpyridin-1-ium-4-yl)amino]phenyl]benzamide?
The IUPAC name of 4-amino-N-[3-[(1-methylpyridin-1-ium-4-yl)amino]phenyl]benzamide (CID 59457943) is 4-amino-N-[3-[(1-methylpyridin-1-ium-4-yl)amino]phenyl]benzamide.
What is the SMILES notation for 4-amino-N-[3-[(1-methylpyridin-1-ium-4-yl)amino]phenyl]benzamide?
The canonical SMILES for 4-amino-N-[3-[(1-methylpyridin-1-ium-4-yl)amino]phenyl]benzamide is C[n+]1ccc(Nc2cccc(NC(=O)c3ccc(N)cc3)c2)cc1.
What is the InChIKey of 4-amino-N-[3-[(1-methylpyridin-1-ium-4-yl)amino]phenyl]benzamide?
The InChIKey is BMWXTODEZMASFK-UHFFFAOYSA-O. The full InChI is InChI=1S/C19H18N4O/c1-23-11-9-16(10-12-23)21-17-3-2-4-18(13-17)22-19(24)14-5-7-15(20)8-6-14/h2-13H,1H3,(H3,20,22,24)/p+1.
What are the key properties of 4-amino-N-[3-[(1-methylpyridin-1-ium-4-yl)amino]phenyl]benzamide?
4-amino-N-[3-[(1-methylpyridin-1-ium-4-yl)amino]phenyl]benzamide has a molecular weight of 319.39 g/mol, XLogP of 3.09, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[3-[(1-methylpyridin-1-ium-4-yl)amino]phenyl]benzamide is sourced from PubChem (CID 59457943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).