2-[(3-aminophenyl)methyl-(pyridin-2-ylmethyl)amino]acetamide

C15H18N4O — CID 43461218

IUPAC2-[(3-aminophenyl)methyl-(pyridin-2-ylmethyl)amino]acetamide
SMILESNC(=O)CN(Cc1cccc(N)c1)Cc1ccccn1
InChIInChI=1S/C15H18N4O/c16-13-5-3-4-12(8-13)9-19(11-15(17)20)10-14-6-1-2-7-18-14/h1-8H,9-11,16H2,(H2,17,20)
InChIKeyQKEHSQQZFOBJLP-UHFFFAOYSA-N
MW270.34 g/mol
LogP1.15
Rot. Bonds6

About 2-[(3-aminophenyl)methyl-(pyridin-2-ylmethyl)amino]acetamide

2-[(3-aminophenyl)methyl-(pyridin-2-ylmethyl)amino]acetamide (PubChem CID 43461218) has the molecular formula C15H18N4O and a molecular weight of 270.34 g/mol. Its IUPAC name is 2-[(3-aminophenyl)methyl-(pyridin-2-ylmethyl)amino]acetamide.

Molecular Properties

Compound Name2-[(3-aminophenyl)methyl-(pyridin-2-ylmethyl)amino]acetamide
PubChem CID43461218
Molecular FormulaC15H18N4O
Molecular Weight270.34 g/mol
Exact Mass270.15
IUPAC Name2-[(3-aminophenyl)methyl-(pyridin-2-ylmethyl)amino]acetamide
SMILESNC(=O)CN(Cc1cccc(N)c1)Cc1ccccn1
InChIInChI=1S/C15H18N4O/c16-13-5-3-4-12(8-13)9-19(11-15(17)20)10-14-6-1-2-7-18-14/h1-8H,9-11,16H2,(H2,17,20)
InChIKeyQKEHSQQZFOBJLP-UHFFFAOYSA-N
XLogP1.15
TPSA85.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.34
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[(3-aminophenyl)methyl-pyrimidin-2-ylamino]acetamide
CID 60874955
3-[(2-amino-2-oxoethyl)-[(3-aminophenyl)methyl]amino]propanamide
CID 43384175
2-[(3-aminophenyl)methyl-[2-(diethylamino)-2-oxoethyl]amino]acetamide
CID 43461228
3-[[propan-2-yl(pyridin-2-ylmethyl)amino]methyl]aniline
CID 43460245
2-[(3-aminophenyl)methyl-(2-propoxyethyl)amino]acetamide
CID 106453572
6-[[(6-amino-2-pyridinyl)methyl-[[3-[[bis(pyridin-2-ylmethyl)amino]methyl]phenyl]methyl]amino]methyl]pyridin-2-amine
CID 44598597
2-[(3-aminophenyl)methyl-octylamino]acetamide
CID 43461268
2-[(3-aminophenyl)methyl-(carboxymethyl)amino]acetic acid
CID 21460485
2-[(3-aminophenyl)methyl-(2-oxo-2-pyrrolidin-1-ylethyl)amino]acetamide
CID 43461225
2-[(3-aminophenyl)methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]acetamide
CID 43461235
2-[(3-aminophenyl)methyl-(3-fluoro-2-pyridinyl)amino]acetamide
CID 62734371
2-[(3-aminophenyl)methyl-[2-(trifluoromethylsulfanyl)ethyl]amino]acetamide
CID 116616285

Frequently Asked Questions

What is the IUPAC name of 2-[(3-aminophenyl)methyl-(pyridin-2-ylmethyl)amino]acetamide?
The IUPAC name of 2-[(3-aminophenyl)methyl-(pyridin-2-ylmethyl)amino]acetamide (CID 43461218) is 2-[(3-aminophenyl)methyl-(pyridin-2-ylmethyl)amino]acetamide.
What is the SMILES notation for 2-[(3-aminophenyl)methyl-(pyridin-2-ylmethyl)amino]acetamide?
The canonical SMILES for 2-[(3-aminophenyl)methyl-(pyridin-2-ylmethyl)amino]acetamide is NC(=O)CN(Cc1cccc(N)c1)Cc1ccccn1.
What is the InChIKey of 2-[(3-aminophenyl)methyl-(pyridin-2-ylmethyl)amino]acetamide?
The InChIKey is QKEHSQQZFOBJLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O/c16-13-5-3-4-12(8-13)9-19(11-15(17)20)10-14-6-1-2-7-18-14/h1-8H,9-11,16H2,(H2,17,20).
What are the key properties of 2-[(3-aminophenyl)methyl-(pyridin-2-ylmethyl)amino]acetamide?
2-[(3-aminophenyl)methyl-(pyridin-2-ylmethyl)amino]acetamide has a molecular weight of 270.34 g/mol, XLogP of 1.15, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-aminophenyl)methyl-(pyridin-2-ylmethyl)amino]acetamide is sourced from PubChem (CID 43461218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).