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

C14H16N4O — CID 55190342

IUPAC4-amino-3-(2-pyridin-2-ylethylamino)benzamide
SMILESNC(=O)c1ccc(N)c(NCCc2ccccn2)c1
InChIInChI=1S/C14H16N4O/c15-12-5-4-10(14(16)19)9-13(12)18-8-6-11-3-1-2-7-17-11/h1-5,7,9,18H,6,8,15H2,(H2,16,19)
InChIKeyZRSIYCUFWOXHFV-UHFFFAOYSA-N
MW256.31 g/mol
LogP1.42
Rot. Bonds5

About 4-amino-3-(2-pyridin-2-ylethylamino)benzamide

4-amino-3-(2-pyridin-2-ylethylamino)benzamide (PubChem CID 55190342) has the molecular formula C14H16N4O and a molecular weight of 256.31 g/mol. Its IUPAC name is 4-amino-3-(2-pyridin-2-ylethylamino)benzamide.

Molecular Properties

Compound Name4-amino-3-(2-pyridin-2-ylethylamino)benzamide
PubChem CID55190342
Molecular FormulaC14H16N4O
Molecular Weight256.31 g/mol
Exact Mass256.13
IUPAC Name4-amino-3-(2-pyridin-2-ylethylamino)benzamide
SMILESNC(=O)c1ccc(N)c(NCCc2ccccn2)c1
InChIInChI=1S/C14H16N4O/c15-12-5-4-10(14(16)19)9-13(12)18-8-6-11-3-1-2-7-17-11/h1-5,7,9,18H,6,8,15H2,(H2,16,19)
InChIKeyZRSIYCUFWOXHFV-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

4-amino-3-(2-pyridin-2-ylethylamino)benzoic acid
CID 82785039
4-amino-N-ethyl-3-(2-pyridin-2-ylethylamino)benzamide
CID 63361031
4-chloro-2-N-(2-pyridin-2-ylethyl)benzene-1,2-diamine
CID 115468470
4-bromo-2-N-(2-pyridin-2-ylethyl)benzene-1,2-diamine
CID 65343240
2-(2-pyridin-2-ylethylamino)benzamide
CID 70453940
2-amino-5-(2-pyridin-2-ylethylamino)benzoic acid
CID 60989382
3-amino-2-(2-pyridin-2-ylethylamino)benzamide
CID 112577927
4-amino-3-(2-pyrazol-1-ylethylamino)benzamide
CID 63356229
3-methyl-4-(2-pyridin-2-ylethylamino)benzenecarbothioamide
CID 54934528
4-chloro-1-N-(2-pyridin-2-ylethyl)benzene-1,2-diamine
CID 28902081
4-bromo-5-fluoro-1-N-(2-pyridin-2-ylethyl)benzene-1,2-diamine
CID 66110681
4-amino-3-[2-(4-methyl-1,2,4-triazol-3-yl)ethylamino]benzamide
CID 63356921

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-(2-pyridin-2-ylethylamino)benzamide?
The IUPAC name of 4-amino-3-(2-pyridin-2-ylethylamino)benzamide (CID 55190342) is 4-amino-3-(2-pyridin-2-ylethylamino)benzamide.
What is the SMILES notation for 4-amino-3-(2-pyridin-2-ylethylamino)benzamide?
The canonical SMILES for 4-amino-3-(2-pyridin-2-ylethylamino)benzamide is NC(=O)c1ccc(N)c(NCCc2ccccn2)c1.
What is the InChIKey of 4-amino-3-(2-pyridin-2-ylethylamino)benzamide?
The InChIKey is ZRSIYCUFWOXHFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O/c15-12-5-4-10(14(16)19)9-13(12)18-8-6-11-3-1-2-7-17-11/h1-5,7,9,18H,6,8,15H2,(H2,16,19).
What are the key properties of 4-amino-3-(2-pyridin-2-ylethylamino)benzamide?
4-amino-3-(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 4-amino-3-(2-pyridin-2-ylethylamino)benzamide is sourced from PubChem (CID 55190342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).