3-amino-2-(2-pyridin-2-ylethylamino)benzamide

C14H16N4O — CID 112577927

IUPAC3-amino-2-(2-pyridin-2-ylethylamino)benzamide
SMILESNC(=O)c1cccc(N)c1NCCc1ccccn1
InChIInChI=1S/C14H16N4O/c15-12-6-3-5-11(14(16)19)13(12)18-9-7-10-4-1-2-8-17-10/h1-6,8,18H,7,9,15H2,(H2,16,19)
InChIKeySUTVTGIWKYOYML-UHFFFAOYSA-N
MW256.31 g/mol
LogP1.42
Rot. Bonds5

About 3-amino-2-(2-pyridin-2-ylethylamino)benzamide

3-amino-2-(2-pyridin-2-ylethylamino)benzamide (PubChem CID 112577927) has the molecular formula C14H16N4O and a molecular weight of 256.31 g/mol. Its IUPAC name is 3-amino-2-(2-pyridin-2-ylethylamino)benzamide.

Molecular Properties

Compound Name3-amino-2-(2-pyridin-2-ylethylamino)benzamide
PubChem CID112577927
Molecular FormulaC14H16N4O
Molecular Weight256.31 g/mol
Exact Mass256.13
IUPAC Name3-amino-2-(2-pyridin-2-ylethylamino)benzamide
SMILESNC(=O)c1cccc(N)c1NCCc1ccccn1
InChIInChI=1S/C14H16N4O/c15-12-6-3-5-11(14(16)19)13(12)18-9-7-10-4-1-2-8-17-10/h1-6,8,18H,7,9,15H2,(H2,16,19)
InChIKeySUTVTGIWKYOYML-UHFFFAOYSA-N
XLogP1.42
TPSA94.03 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 51.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(2-pyridin-2-ylethylamino)benzamide
CID 70453940
3-amino-2-(pyridin-2-ylmethylamino)benzoic acid
CID 112577849
3-amino-2-[2-(furan-2-yl)ethylamino]benzamide
CID 112578443
6-(2-pyridin-2-ylethylamino)pyridazine-3-carboxamide
CID 79005951
4-amino-3-(2-pyridin-2-ylethylamino)benzamide
CID 55190342
2-amino-5-(2-pyridin-2-ylethylamino)benzoic acid
CID 60989382
ethyl 3-amino-2-(pyridin-2-ylmethylamino)benzoate
CID 115934021
bis[2-(2-pyridin-2-ylethylamino)-3-pyridinyl]methanone
CID 67101566
3-amino-2-[2-(1-methylpyrazol-4-yl)ethylamino]benzamide
CID 112579298
3-amino-2-nitro-N-(2-pyridin-2-ylethyl)benzamide
CID 115548148
2-(3-pyridin-2-ylpropyl)benzamide
CID 173328031
3-amino-2-(5,5,5-trifluoropentylamino)benzamide
CID 112579360

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-(2-pyridin-2-ylethylamino)benzamide?
The IUPAC name of 3-amino-2-(2-pyridin-2-ylethylamino)benzamide (CID 112577927) is 3-amino-2-(2-pyridin-2-ylethylamino)benzamide.
What is the SMILES notation for 3-amino-2-(2-pyridin-2-ylethylamino)benzamide?
The canonical SMILES for 3-amino-2-(2-pyridin-2-ylethylamino)benzamide is NC(=O)c1cccc(N)c1NCCc1ccccn1.
What is the InChIKey of 3-amino-2-(2-pyridin-2-ylethylamino)benzamide?
The InChIKey is SUTVTGIWKYOYML-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O/c15-12-6-3-5-11(14(16)19)13(12)18-9-7-10-4-1-2-8-17-10/h1-6,8,18H,7,9,15H2,(H2,16,19).
What are the key properties of 3-amino-2-(2-pyridin-2-ylethylamino)benzamide?
3-amino-2-(2-pyridin-2-ylethylamino)benzamide has a molecular weight of 256.31 g/mol, XLogP of 1.42, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-(2-pyridin-2-ylethylamino)benzamide is sourced from PubChem (CID 112577927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).