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

C24H22N4OS — CID 20786102

IUPACN-(2-aminophenyl)-4-[5-[(pyridin-2-ylmethylamino)methyl]thiophen-2-yl]benzamide
SMILESNc1ccccc1NC(=O)c1ccc(-c2ccc(CNCc3ccccn3)s2)cc1
InChIInChI=1S/C24H22N4OS/c25-21-6-1-2-7-22(21)28-24(29)18-10-8-17(9-11-18)23-13-12-20(30-23)16-26-15-19-5-3-4-14-27-19/h1-14,26H,15-16,25H2,(H,28,29)
InChIKeyPWRHBOQKJNYSHK-UHFFFAOYSA-N
MW414.53 g/mol
LogP4.93
Rot. Bonds7

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

N-(2-aminophenyl)-4-[5-[(pyridin-2-ylmethylamino)methyl]thiophen-2-yl]benzamide (PubChem CID 20786102) 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-ylmethylamino)methyl]thiophen-2-yl]benzamide.

Molecular Properties

Compound NameN-(2-aminophenyl)-4-[5-[(pyridin-2-ylmethylamino)methyl]thiophen-2-yl]benzamide
PubChem CID20786102
Molecular FormulaC24H22N4OS
Molecular Weight414.53 g/mol
Exact Mass414.15
IUPAC NameN-(2-aminophenyl)-4-[5-[(pyridin-2-ylmethylamino)methyl]thiophen-2-yl]benzamide
SMILESNc1ccccc1NC(=O)c1ccc(-c2ccc(CNCc3ccccn3)s2)cc1
InChIInChI=1S/C24H22N4OS/c25-21-6-1-2-7-22(21)28-24(29)18-10-8-17(9-11-18)23-13-12-20(30-23)16-26-15-19-5-3-4-14-27-19/h1-14,26H,15-16,25H2,(H,28,29)
InChIKeyPWRHBOQKJNYSHK-UHFFFAOYSA-N
XLogP4.93
TPSA80.04 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.53
LogP ≤ 54.93
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-ylamino)methyl]thiophen-2-yl]methyl]benzamide
CID 66893914
N-(2-aminophenyl)-5-[(pyridin-2-ylmethylamino)methyl]-1-benzothiophene-2-carboxamide
CID 68700472
pyridin-2-ylmethyl N-[4-[(2-aminophenyl)carbamoyl]phenyl]carbamate
CID 102467936
N-(2-aminophenyl)-4-[[6-(pyridin-2-ylmethylamino)-1,3-benzothiazol-2-yl]sulfanylmethyl]benzamide
CID 10300469
4-acetamido-3-amino-N-(pyridin-2-ylmethyl)benzamide
CID 18315403
N-(2-aminophenyl)-4-(hydroxyamino)benzamide
CID 155418611
4-[(2-aminophenyl)carbamoyl]benzoic acid
CID 61408098
5-(4-fluorophenyl)-N-(pyridin-2-ylmethyl)thiophene-2-carboxamide
CID 32977659
N-(2-amino-3-pyridinyl)-4-[[(4-phenylphenyl)methylcarbamoylamino]methyl]benzamide
CID 44595113
4-amino-3-fluoro-N-(pyridin-2-ylmethyl)benzamide
CID 62678700
5-[(pyridin-2-ylmethylamino)methyl]thiophene-3-carboxamide
CID 79606263
N-(2-aminophenyl)-4-[[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methylamino]methyl]benzamide
CID 118735150

Frequently Asked Questions

What is the IUPAC name of N-(2-aminophenyl)-4-[5-[(pyridin-2-ylmethylamino)methyl]thiophen-2-yl]benzamide?
The IUPAC name of N-(2-aminophenyl)-4-[5-[(pyridin-2-ylmethylamino)methyl]thiophen-2-yl]benzamide (CID 20786102) is N-(2-aminophenyl)-4-[5-[(pyridin-2-ylmethylamino)methyl]thiophen-2-yl]benzamide.
What is the SMILES notation for N-(2-aminophenyl)-4-[5-[(pyridin-2-ylmethylamino)methyl]thiophen-2-yl]benzamide?
The canonical SMILES for N-(2-aminophenyl)-4-[5-[(pyridin-2-ylmethylamino)methyl]thiophen-2-yl]benzamide is Nc1ccccc1NC(=O)c1ccc(-c2ccc(CNCc3ccccn3)s2)cc1.
What is the InChIKey of N-(2-aminophenyl)-4-[5-[(pyridin-2-ylmethylamino)methyl]thiophen-2-yl]benzamide?
The InChIKey is PWRHBOQKJNYSHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N4OS/c25-21-6-1-2-7-22(21)28-24(29)18-10-8-17(9-11-18)23-13-12-20(30-23)16-26-15-19-5-3-4-14-27-19/h1-14,26H,15-16,25H2,(H,28,29).
What are the key properties of N-(2-aminophenyl)-4-[5-[(pyridin-2-ylmethylamino)methyl]thiophen-2-yl]benzamide?
N-(2-aminophenyl)-4-[5-[(pyridin-2-ylmethylamino)methyl]thiophen-2-yl]benzamide has a molecular weight of 414.53 g/mol, XLogP of 4.93, 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-ylmethylamino)methyl]thiophen-2-yl]benzamide is sourced from PubChem (CID 20786102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).