1-[3-[[3-(aminomethyl)-2-pyridinyl]amino]phenyl]ethanone

C14H15N3O — CID 82084693

IUPAC1-[3-[[3-(aminomethyl)-2-pyridinyl]amino]phenyl]ethanone
SMILESCC(=O)c1cccc(Nc2ncccc2CN)c1
InChIInChI=1S/C14H15N3O/c1-10(18)11-4-2-6-13(8-11)17-14-12(9-15)5-3-7-16-14/h2-8H,9,15H2,1H3,(H,16,17)
InChIKeyLXPRTUYNBJUJPT-UHFFFAOYSA-N
MW241.29 g/mol
LogP2.49
Rot. Bonds4

About 1-[3-[[3-(aminomethyl)-2-pyridinyl]amino]phenyl]ethanone

1-[3-[[3-(aminomethyl)-2-pyridinyl]amino]phenyl]ethanone (PubChem CID 82084693) has the molecular formula C14H15N3O and a molecular weight of 241.29 g/mol. Its IUPAC name is 1-[3-[[3-(aminomethyl)-2-pyridinyl]amino]phenyl]ethanone.

Molecular Properties

Compound Name1-[3-[[3-(aminomethyl)-2-pyridinyl]amino]phenyl]ethanone
PubChem CID82084693
Molecular FormulaC14H15N3O
Molecular Weight241.29 g/mol
Exact Mass241.12
IUPAC Name1-[3-[[3-(aminomethyl)-2-pyridinyl]amino]phenyl]ethanone
SMILESCC(=O)c1cccc(Nc2ncccc2CN)c1
InChIInChI=1S/C14H15N3O/c1-10(18)11-4-2-6-13(8-11)17-14-12(9-15)5-3-7-16-14/h2-8H,9,15H2,1H3,(H,16,17)
InChIKeyLXPRTUYNBJUJPT-UHFFFAOYSA-N
XLogP2.49
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-[[3-(hydroxymethyl)-2-pyridinyl]amino]phenyl]acetamide
CID 82089213
1-[3-(pyrimidin-2-ylamino)phenyl]ethanone
CID 115028227
3-(aminomethyl)-N-(3,5-dimethylphenyl)pyridin-2-amine
CID 82081174
N-(3-acetylphenyl)-2-[2-(aminomethyl)phenyl]acetamide
CID 81313310
1-[3-(4-aminoanilino)phenyl]ethanone
CID 82287829
1-[3-[(5-amino-3-bromo-2-pyridinyl)amino]phenyl]ethanone
CID 93208856
1-[3-[(3-amino-5-chloro-2-pyridinyl)amino]phenyl]ethanone
CID 82059562
[2-(3-bromoanilino)-3-pyridinyl]methanol
CID 82093811
3-[(3-carbamoyl-2-pyridinyl)amino]benzoic acid
CID 43358933
3-[(3-ethoxycarbonyl-2-pyridinyl)amino]benzoic acid
CID 43358939
1-[3-[[5-amino-6-(2-phenylhydrazinyl)pyrimidin-4-yl]amino]phenyl]ethanone
CID 22547424
1-[3-(8-thia-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-6-ylamino)phenyl]ethanone
CID 110435109

Frequently Asked Questions

What is the IUPAC name of 1-[3-[[3-(aminomethyl)-2-pyridinyl]amino]phenyl]ethanone?
The IUPAC name of 1-[3-[[3-(aminomethyl)-2-pyridinyl]amino]phenyl]ethanone (CID 82084693) is 1-[3-[[3-(aminomethyl)-2-pyridinyl]amino]phenyl]ethanone.
What is the SMILES notation for 1-[3-[[3-(aminomethyl)-2-pyridinyl]amino]phenyl]ethanone?
The canonical SMILES for 1-[3-[[3-(aminomethyl)-2-pyridinyl]amino]phenyl]ethanone is CC(=O)c1cccc(Nc2ncccc2CN)c1.
What is the InChIKey of 1-[3-[[3-(aminomethyl)-2-pyridinyl]amino]phenyl]ethanone?
The InChIKey is LXPRTUYNBJUJPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O/c1-10(18)11-4-2-6-13(8-11)17-14-12(9-15)5-3-7-16-14/h2-8H,9,15H2,1H3,(H,16,17).
What are the key properties of 1-[3-[[3-(aminomethyl)-2-pyridinyl]amino]phenyl]ethanone?
1-[3-[[3-(aminomethyl)-2-pyridinyl]amino]phenyl]ethanone has a molecular weight of 241.29 g/mol, XLogP of 2.49, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[[3-(aminomethyl)-2-pyridinyl]amino]phenyl]ethanone is sourced from PubChem (CID 82084693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).