1-(4-aminophenyl)-2-(pyridin-4-ylmethylamino)propan-1-one

C15H17N3O — CID 82258073

IUPAC1-(4-aminophenyl)-2-(pyridin-4-ylmethylamino)propan-1-one
SMILESCC(NCc1ccncc1)C(=O)c1ccc(N)cc1
InChIInChI=1S/C15H17N3O/c1-11(18-10-12-6-8-17-9-7-12)15(19)13-2-4-14(16)5-3-13/h2-9,11,18H,10,16H2,1H3
InChIKeyQDTXKOIWTNTZKE-UHFFFAOYSA-N
MW255.32 g/mol
LogP2.02
Rot. Bonds5

About 1-(4-aminophenyl)-2-(pyridin-4-ylmethylamino)propan-1-one

1-(4-aminophenyl)-2-(pyridin-4-ylmethylamino)propan-1-one (PubChem CID 82258073) has the molecular formula C15H17N3O and a molecular weight of 255.32 g/mol. Its IUPAC name is 1-(4-aminophenyl)-2-(pyridin-4-ylmethylamino)propan-1-one.

Molecular Properties

Compound Name1-(4-aminophenyl)-2-(pyridin-4-ylmethylamino)propan-1-one
PubChem CID82258073
Molecular FormulaC15H17N3O
Molecular Weight255.32 g/mol
Exact Mass255.14
IUPAC Name1-(4-aminophenyl)-2-(pyridin-4-ylmethylamino)propan-1-one
SMILESCC(NCc1ccncc1)C(=O)c1ccc(N)cc1
InChIInChI=1S/C15H17N3O/c1-11(18-10-12-6-8-17-9-7-12)15(19)13-2-4-14(16)5-3-13/h2-9,11,18H,10,16H2,1H3
InChIKeyQDTXKOIWTNTZKE-UHFFFAOYSA-N
XLogP2.02
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 52.02
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

methyl (2S)-2-(pyridin-4-ylmethylamino)propanoate
CID 43230288
1-(2,4-dimethylphenyl)-2-(pyridin-4-ylmethylamino)propan-1-one
CID 82100549
2-(benzylamino)-1-(4-fluorophenyl)propan-1-one
CID 82100447
(2S)-2-(benzylamino)-1-(4-methylphenyl)propan-1-one;hydrochloride
CID 155254846
1-(4-ethylphenyl)-2-[(4-fluorophenyl)methylamino]propan-1-one
CID 82100239
2-methyl-1-[4-(pyridin-4-ylmethylamino)phenyl]propan-1-one
CID 95463722
1-(4-ethylphenyl)-2-[(4-methylphenyl)methylamino]propan-1-one
CID 82100240
1-(4-aminophenyl)-2-[2-(4-fluorophenyl)ethylamino]propan-1-one
CID 82258109
2-(benzylamino)-1-(4-tert-butylphenyl)propan-1-one
CID 82100631
4-methyl-3-(pyridin-4-ylmethylamino)pentan-2-one
CID 143524446
2-[(4-methoxyphenyl)methylamino]-1-(4-methylphenyl)propan-1-one
CID 82100112
N-(2-methoxyethyl)-2-(pyridin-4-ylmethylamino)propanamide
CID 43086931

Frequently Asked Questions

What is the IUPAC name of 1-(4-aminophenyl)-2-(pyridin-4-ylmethylamino)propan-1-one?
The IUPAC name of 1-(4-aminophenyl)-2-(pyridin-4-ylmethylamino)propan-1-one (CID 82258073) is 1-(4-aminophenyl)-2-(pyridin-4-ylmethylamino)propan-1-one.
What is the SMILES notation for 1-(4-aminophenyl)-2-(pyridin-4-ylmethylamino)propan-1-one?
The canonical SMILES for 1-(4-aminophenyl)-2-(pyridin-4-ylmethylamino)propan-1-one is CC(NCc1ccncc1)C(=O)c1ccc(N)cc1.
What is the InChIKey of 1-(4-aminophenyl)-2-(pyridin-4-ylmethylamino)propan-1-one?
The InChIKey is QDTXKOIWTNTZKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O/c1-11(18-10-12-6-8-17-9-7-12)15(19)13-2-4-14(16)5-3-13/h2-9,11,18H,10,16H2,1H3.
What are the key properties of 1-(4-aminophenyl)-2-(pyridin-4-ylmethylamino)propan-1-one?
1-(4-aminophenyl)-2-(pyridin-4-ylmethylamino)propan-1-one has a molecular weight of 255.32 g/mol, XLogP of 2.02, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-aminophenyl)-2-(pyridin-4-ylmethylamino)propan-1-one is sourced from PubChem (CID 82258073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).