N-(2-aminophenyl)-4-[[5-[(pyridin-2-ylamino)methyl]thiophen-2-yl]methyl]benzamide

C24H22N4OS — CID 66893914

IUPACN-(2-aminophenyl)-4-[[5-[(pyridin-2-ylamino)methyl]thiophen-2-yl]methyl]benzamide
SMILESNc1ccccc1NC(=O)c1ccc(Cc2ccc(CNc3ccccn3)s2)cc1
InChIInChI=1S/C24H22N4OS/c25-21-5-1-2-6-22(21)28-24(29)18-10-8-17(9-11-18)15-19-12-13-20(30-19)16-27-23-7-3-4-14-26-23/h1-14H,15-16,25H2,(H,26,27)(H,28,29)
InChIKeyHYOJYLNOLNFGAY-UHFFFAOYSA-N
MW414.53 g/mol
LogP5.18
Rot. Bonds7

About N-(2-aminophenyl)-4-[[5-[(pyridin-2-ylamino)methyl]thiophen-2-yl]methyl]benzamide

N-(2-aminophenyl)-4-[[5-[(pyridin-2-ylamino)methyl]thiophen-2-yl]methyl]benzamide (PubChem CID 66893914) has the molecular formula C24H22N4OS and a molecular weight of 414.53 g/mol. Its IUPAC name is N-(2-aminophenyl)-4-[[5-[(pyridin-2-ylamino)methyl]thiophen-2-yl]methyl]benzamide.

Molecular Properties

Compound NameN-(2-aminophenyl)-4-[[5-[(pyridin-2-ylamino)methyl]thiophen-2-yl]methyl]benzamide
PubChem CID66893914
Molecular FormulaC24H22N4OS
Molecular Weight414.53 g/mol
Exact Mass414.15
IUPAC NameN-(2-aminophenyl)-4-[[5-[(pyridin-2-ylamino)methyl]thiophen-2-yl]methyl]benzamide
SMILESNc1ccccc1NC(=O)c1ccc(Cc2ccc(CNc3ccccn3)s2)cc1
InChIInChI=1S/C24H22N4OS/c25-21-5-1-2-6-22(21)28-24(29)18-10-8-17(9-11-18)15-19-12-13-20(30-19)16-27-23-7-3-4-14-26-23/h1-14H,15-16,25H2,(H,26,27)(H,28,29)
InChIKeyHYOJYLNOLNFGAY-UHFFFAOYSA-N
XLogP5.18
TPSA80.04 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.53
LogP ≤ 55.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(2-aminophenyl)-4-[5-[(pyridin-2-ylmethylamino)methyl]thiophen-2-yl]benzamide
CID 20786102
N-(2-aminophenyl)-4-(2,2-dimethylpropyl)benzamide
CID 58916411
methyl N-[[4-[(2-aminophenyl)carbamoyl]phenyl]methyl]carbamate;pyridine
CID 174424077
N-(2-aminophenyl)-4-[[(2-phenylacetyl)amino]methyl]benzamide
CID 11348920
N-(2-aminophenyl)-4-[[6-(pyridin-2-ylmethylamino)-1,3-benzothiazol-2-yl]sulfanylmethyl]benzamide
CID 10300469
4-[(2-aminophenyl)carbamoyl]benzoic acid
CID 61408098
N-(2-aminophenyl)-4-[(3,5-dimethylanilino)methyl]benzamide
CID 22478639
N-(2-aminophenyl)-4-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]benzamide
CID 58930570
N-(2-aminophenyl)-4-[[(2,6-dimethoxypyrimidin-4-yl)amino]methyl]benzamide
CID 22478791
4-[[(6-amino-1,3-benzothiazol-2-yl)amino]methyl]-N-(2-aminophenyl)benzamide
CID 87079051
pyridin-2-ylmethyl N-[4-[(2-aminophenyl)carbamoyl]phenyl]carbamate
CID 102467936
N-(2-aminophenyl)-4-(pyrrol-1-ylmethyl)benzamide
CID 174854495

Frequently Asked Questions

What is the IUPAC name of N-(2-aminophenyl)-4-[[5-[(pyridin-2-ylamino)methyl]thiophen-2-yl]methyl]benzamide?
The IUPAC name of N-(2-aminophenyl)-4-[[5-[(pyridin-2-ylamino)methyl]thiophen-2-yl]methyl]benzamide (CID 66893914) is N-(2-aminophenyl)-4-[[5-[(pyridin-2-ylamino)methyl]thiophen-2-yl]methyl]benzamide.
What is the SMILES notation for N-(2-aminophenyl)-4-[[5-[(pyridin-2-ylamino)methyl]thiophen-2-yl]methyl]benzamide?
The canonical SMILES for N-(2-aminophenyl)-4-[[5-[(pyridin-2-ylamino)methyl]thiophen-2-yl]methyl]benzamide is Nc1ccccc1NC(=O)c1ccc(Cc2ccc(CNc3ccccn3)s2)cc1.
What is the InChIKey of N-(2-aminophenyl)-4-[[5-[(pyridin-2-ylamino)methyl]thiophen-2-yl]methyl]benzamide?
The InChIKey is HYOJYLNOLNFGAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N4OS/c25-21-5-1-2-6-22(21)28-24(29)18-10-8-17(9-11-18)15-19-12-13-20(30-19)16-27-23-7-3-4-14-26-23/h1-14H,15-16,25H2,(H,26,27)(H,28,29).
What are the key properties of N-(2-aminophenyl)-4-[[5-[(pyridin-2-ylamino)methyl]thiophen-2-yl]methyl]benzamide?
N-(2-aminophenyl)-4-[[5-[(pyridin-2-ylamino)methyl]thiophen-2-yl]methyl]benzamide has a molecular weight of 414.53 g/mol, XLogP of 5.18, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminophenyl)-4-[[5-[(pyridin-2-ylamino)methyl]thiophen-2-yl]methyl]benzamide is sourced from PubChem (CID 66893914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).