3-amino-1-(2-amino-5-methyl-3-pyridinyl)-2-phenylpropan-1-one

C15H17N3O — CID 116567110

IUPAC3-amino-1-(2-amino-5-methyl-3-pyridinyl)-2-phenylpropan-1-one
SMILESCc1cnc(N)c(C(=O)C(CN)c2ccccc2)c1
InChIInChI=1S/C15H17N3O/c1-10-7-12(15(17)18-9-10)14(19)13(8-16)11-5-3-2-4-6-11/h2-7,9,13H,8,16H2,1H3,(H2,17,18)
InChIKeyDZLBHNXFERHVHZ-UHFFFAOYSA-N
MW255.32 g/mol
LogP1.90
Rot. Bonds4

About 3-amino-1-(2-amino-5-methyl-3-pyridinyl)-2-phenylpropan-1-one

3-amino-1-(2-amino-5-methyl-3-pyridinyl)-2-phenylpropan-1-one (PubChem CID 116567110) has the molecular formula C15H17N3O and a molecular weight of 255.32 g/mol. Its IUPAC name is 3-amino-1-(2-amino-5-methyl-3-pyridinyl)-2-phenylpropan-1-one.

Molecular Properties

Compound Name3-amino-1-(2-amino-5-methyl-3-pyridinyl)-2-phenylpropan-1-one
PubChem CID116567110
Molecular FormulaC15H17N3O
Molecular Weight255.32 g/mol
Exact Mass255.14
IUPAC Name3-amino-1-(2-amino-5-methyl-3-pyridinyl)-2-phenylpropan-1-one
SMILESCc1cnc(N)c(C(=O)C(CN)c2ccccc2)c1
InChIInChI=1S/C15H17N3O/c1-10-7-12(15(17)18-9-10)14(19)13(8-16)11-5-3-2-4-6-11/h2-7,9,13H,8,16H2,1H3,(H2,17,18)
InChIKeyDZLBHNXFERHVHZ-UHFFFAOYSA-N
XLogP1.90
TPSA82.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(aminomethyl)-1-(2-amino-5-methyl-3-pyridinyl)-3-methylbutan-1-one
CID 116574050
1-(2-amino-5-methyl-3-pyridinyl)-2-anilinoethanone
CID 116555449
1-(2-amino-5-methyl-3-pyridinyl)-2-hydroxy-3,3-dimethylbutan-1-one
CID 103456303
1-(2-amino-5-methyl-3-pyridinyl)-2-(2-chlorophenyl)sulfanylethanone
CID 66139550
1-(2,5-dimethyl-3-pyridinyl)-2-phenylpropan-1-one
CID 58516070
3-amino-1-isoquinolin-8-yl-2-phenylpropan-1-one
CID 103133119
3-amino-2-phenyl-1-quinolin-5-ylpropan-1-one
CID 116567063
(2R)-2-amino-1-(2-amino-5-chloro-3-pyridinyl)-2-phenylethanone
CID 104891089
ethyl (2S)-3-amino-2-phenylpropanoate
CID 848661
1-(2-amino-5-chloro-3-pyridinyl)-2-ethoxy-2-phenylethanone
CID 116751757
1-(2-chloro-5-methylphenyl)-2-phenylbutan-1-one
CID 146009774
methyl (2R)-3-amino-2-phenylpropanoate
CID 7183129

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(2-amino-5-methyl-3-pyridinyl)-2-phenylpropan-1-one?
The IUPAC name of 3-amino-1-(2-amino-5-methyl-3-pyridinyl)-2-phenylpropan-1-one (CID 116567110) is 3-amino-1-(2-amino-5-methyl-3-pyridinyl)-2-phenylpropan-1-one.
What is the SMILES notation for 3-amino-1-(2-amino-5-methyl-3-pyridinyl)-2-phenylpropan-1-one?
The canonical SMILES for 3-amino-1-(2-amino-5-methyl-3-pyridinyl)-2-phenylpropan-1-one is Cc1cnc(N)c(C(=O)C(CN)c2ccccc2)c1.
What is the InChIKey of 3-amino-1-(2-amino-5-methyl-3-pyridinyl)-2-phenylpropan-1-one?
The InChIKey is DZLBHNXFERHVHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O/c1-10-7-12(15(17)18-9-10)14(19)13(8-16)11-5-3-2-4-6-11/h2-7,9,13H,8,16H2,1H3,(H2,17,18).
What are the key properties of 3-amino-1-(2-amino-5-methyl-3-pyridinyl)-2-phenylpropan-1-one?
3-amino-1-(2-amino-5-methyl-3-pyridinyl)-2-phenylpropan-1-one has a molecular weight of 255.32 g/mol, XLogP of 1.90, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(2-amino-5-methyl-3-pyridinyl)-2-phenylpropan-1-one is sourced from PubChem (CID 116567110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).