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

C14H15N3O — CID 107811285

IUPAC3-(2-pyridin-4-ylethylamino)benzamide
SMILESNC(=O)c1cccc(NCCc2ccncc2)c1
InChIInChI=1S/C14H15N3O/c15-14(18)12-2-1-3-13(10-12)17-9-6-11-4-7-16-8-5-11/h1-5,7-8,10,17H,6,9H2,(H2,15,18)
InChIKeyXLYMCVXKMLWINV-UHFFFAOYSA-N
MW241.29 g/mol
LogP1.84
Rot. Bonds5

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

3-(2-pyridin-4-ylethylamino)benzamide (PubChem CID 107811285) has the molecular formula C14H15N3O and a molecular weight of 241.29 g/mol. Its IUPAC name is 3-(2-pyridin-4-ylethylamino)benzamide.

Molecular Properties

Compound Name3-(2-pyridin-4-ylethylamino)benzamide
PubChem CID107811285
Molecular FormulaC14H15N3O
Molecular Weight241.29 g/mol
Exact Mass241.12
IUPAC Name3-(2-pyridin-4-ylethylamino)benzamide
SMILESNC(=O)c1cccc(NCCc2ccncc2)c1
InChIInChI=1S/C14H15N3O/c15-14(18)12-2-1-3-13(10-12)17-9-6-11-4-7-16-8-5-11/h1-5,7-8,10,17H,6,9H2,(H2,15,18)
InChIKeyXLYMCVXKMLWINV-UHFFFAOYSA-N
XLogP1.84
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(pyridin-4-ylmethylamino)benzamide
CID 28650520
3-(2-phenylethylamino)benzoic acid
CID 43139401
3-[(3-amino-3-oxopropyl)amino]benzamide
CID 107811145
3-[2-(pyridin-4-ylamino)ethyl]benzoic acid
CID 55236658
3-[2-(4-chlorophenyl)ethylamino]benzoic acid
CID 82538719
3-[(4-fluorophenyl)methylamino]benzamide
CID 28650463
N-methyl-3-(pyridin-4-ylmethylamino)benzamide
CID 28650269
3-[2-(diethylamino)ethylamino]benzamide
CID 107811316
3-methyl-4-[(2-pyridin-4-ylethylamino)methyl]benzamide
CID 114479915
tert-butyl 3-(2-pyridin-3-ylethylamino)benzoate
CID 68952622
2-methyl-4-N-(2-pyridin-4-ylethyl)benzene-1,4-diamine
CID 23104838
ethyl 3-(3-carbamoylanilino)propanoate
CID 114003548

Frequently Asked Questions

What is the IUPAC name of 3-(2-pyridin-4-ylethylamino)benzamide?
The IUPAC name of 3-(2-pyridin-4-ylethylamino)benzamide (CID 107811285) is 3-(2-pyridin-4-ylethylamino)benzamide.
What is the SMILES notation for 3-(2-pyridin-4-ylethylamino)benzamide?
The canonical SMILES for 3-(2-pyridin-4-ylethylamino)benzamide is NC(=O)c1cccc(NCCc2ccncc2)c1.
What is the InChIKey of 3-(2-pyridin-4-ylethylamino)benzamide?
The InChIKey is XLYMCVXKMLWINV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O/c15-14(18)12-2-1-3-13(10-12)17-9-6-11-4-7-16-8-5-11/h1-5,7-8,10,17H,6,9H2,(H2,15,18).
What are the key properties of 3-(2-pyridin-4-ylethylamino)benzamide?
3-(2-pyridin-4-ylethylamino)benzamide has a molecular weight of 241.29 g/mol, XLogP of 1.84, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-pyridin-4-ylethylamino)benzamide is sourced from PubChem (CID 107811285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).