3-(3-aminophenyl)-1-(2-amino-3-pyridinyl)propan-1-one

C14H15N3O — CID 116603498

IUPAC3-(3-aminophenyl)-1-(2-amino-3-pyridinyl)propan-1-one
SMILESNc1cccc(CCC(=O)c2cccnc2N)c1
InChIInChI=1S/C14H15N3O/c15-11-4-1-3-10(9-11)6-7-13(18)12-5-2-8-17-14(12)16/h1-5,8-9H,6-7,15H2,(H2,16,17)
InChIKeyCXJOUKKTTYNDLY-UHFFFAOYSA-N
MW241.29 g/mol
LogP2.06
Rot. Bonds4

About 3-(3-aminophenyl)-1-(2-amino-3-pyridinyl)propan-1-one

3-(3-aminophenyl)-1-(2-amino-3-pyridinyl)propan-1-one (PubChem CID 116603498) has the molecular formula C14H15N3O and a molecular weight of 241.29 g/mol. Its IUPAC name is 3-(3-aminophenyl)-1-(2-amino-3-pyridinyl)propan-1-one.

Molecular Properties

Compound Name3-(3-aminophenyl)-1-(2-amino-3-pyridinyl)propan-1-one
PubChem CID116603498
Molecular FormulaC14H15N3O
Molecular Weight241.29 g/mol
Exact Mass241.12
IUPAC Name3-(3-aminophenyl)-1-(2-amino-3-pyridinyl)propan-1-one
SMILESNc1cccc(CCC(=O)c2cccnc2N)c1
InChIInChI=1S/C14H15N3O/c15-11-4-1-3-10(9-11)6-7-13(18)12-5-2-8-17-14(12)16/h1-5,8-9H,6-7,15H2,(H2,16,17)
InChIKeyCXJOUKKTTYNDLY-UHFFFAOYSA-N
XLogP2.06
TPSA82.00 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 ≤ 52.06
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

1-(2-amino-5-chloro-3-pyridinyl)-3-(3-aminophenyl)propan-1-one
CID 116603375
3-(3-aminophenyl)-1-(2-methylphenyl)propan-1-one
CID 116603454
3-(3-aminophenyl)-1-isoquinolin-8-ylpropan-1-one
CID 103133503
3-(3-aminophenyl)-1-(1-benzothiophen-7-yl)propan-1-one
CID 116603355
3-(3-aminophenyl)-1-(1-methylimidazol-2-yl)propan-1-one
CID 82474092
2-(3-aminophenyl)-1-quinolin-8-ylethanone
CID 116577224
3-(3-aminophenyl)-1-(2-propan-2-yloxyphenyl)propan-1-one
CID 116603294
1-(2-amino-3-pyridinyl)-2-chloroethanone
CID 88729887
3-(3-aminophenyl)-N-(3-methyl-2-pyridinyl)propanamide
CID 43309074
4-(3-aminophenyl)-1-pyridin-3-ylbutan-2-one
CID 116603391
3-(3-aminophenyl)-N-[(3-ethyl-2-pyridinyl)methyl]propanamide
CID 82733558
3-(3-aminophenyl)-1-(5,6,7,8-tetrahydroquinolin-8-yl)propan-1-one
CID 116603381

Frequently Asked Questions

What is the IUPAC name of 3-(3-aminophenyl)-1-(2-amino-3-pyridinyl)propan-1-one?
The IUPAC name of 3-(3-aminophenyl)-1-(2-amino-3-pyridinyl)propan-1-one (CID 116603498) is 3-(3-aminophenyl)-1-(2-amino-3-pyridinyl)propan-1-one.
What is the SMILES notation for 3-(3-aminophenyl)-1-(2-amino-3-pyridinyl)propan-1-one?
The canonical SMILES for 3-(3-aminophenyl)-1-(2-amino-3-pyridinyl)propan-1-one is Nc1cccc(CCC(=O)c2cccnc2N)c1.
What is the InChIKey of 3-(3-aminophenyl)-1-(2-amino-3-pyridinyl)propan-1-one?
The InChIKey is CXJOUKKTTYNDLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O/c15-11-4-1-3-10(9-11)6-7-13(18)12-5-2-8-17-14(12)16/h1-5,8-9H,6-7,15H2,(H2,16,17).
What are the key properties of 3-(3-aminophenyl)-1-(2-amino-3-pyridinyl)propan-1-one?
3-(3-aminophenyl)-1-(2-amino-3-pyridinyl)propan-1-one has a molecular weight of 241.29 g/mol, XLogP of 2.06, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-aminophenyl)-1-(2-amino-3-pyridinyl)propan-1-one is sourced from PubChem (CID 116603498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).