3-amino-1-(2-amino-4-methyl-3-pyridinyl)-3-cyclopropylpropan-1-one

C12H17N3O — CID 116608700

IUPAC3-amino-1-(2-amino-4-methyl-3-pyridinyl)-3-cyclopropylpropan-1-one
SMILESCc1ccnc(N)c1C(=O)CC(N)C1CC1
InChIInChI=1S/C12H17N3O/c1-7-4-5-15-12(14)11(7)10(16)6-9(13)8-2-3-8/h4-5,8-9H,2-3,6,13H2,1H3,(H2,14,15)
InChIKeyMBTREKQXOWZSKV-UHFFFAOYSA-N
MW219.29 g/mol
LogP1.28
Rot. Bonds4

About 3-amino-1-(2-amino-4-methyl-3-pyridinyl)-3-cyclopropylpropan-1-one

3-amino-1-(2-amino-4-methyl-3-pyridinyl)-3-cyclopropylpropan-1-one (PubChem CID 116608700) has the molecular formula C12H17N3O and a molecular weight of 219.29 g/mol. Its IUPAC name is 3-amino-1-(2-amino-4-methyl-3-pyridinyl)-3-cyclopropylpropan-1-one.

Molecular Properties

Compound Name3-amino-1-(2-amino-4-methyl-3-pyridinyl)-3-cyclopropylpropan-1-one
PubChem CID116608700
Molecular FormulaC12H17N3O
Molecular Weight219.29 g/mol
Exact Mass219.14
IUPAC Name3-amino-1-(2-amino-4-methyl-3-pyridinyl)-3-cyclopropylpropan-1-one
SMILESCc1ccnc(N)c1C(=O)CC(N)C1CC1
InChIInChI=1S/C12H17N3O/c1-7-4-5-15-12(14)11(7)10(16)6-9(13)8-2-3-8/h4-5,8-9H,2-3,6,13H2,1H3,(H2,14,15)
InChIKeyMBTREKQXOWZSKV-UHFFFAOYSA-N
XLogP1.28
TPSA82.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.29
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-1-(2-amino-4-methyl-3-pyridinyl)pentan-1-one
CID 116608992
3-amino-1-(2-amino-4-methyl-3-pyridinyl)-5,5-dimethylhexan-1-one
CID 116614579
2-amino-1-(2-amino-4-methyl-3-pyridinyl)-3-methoxypropan-1-one
CID 116593978
1-(2-amino-4-methyl-3-pyridinyl)-2-(propylamino)ethanone
CID 116562759
(2-amino-4-methyl-3-pyridinyl)-(2,2-dimethylcyclopropyl)methanone
CID 107925467
1-(2-amino-4-methyl-3-pyridinyl)-2-cyclopropylethane-1,2-diol
CID 103456736
(2-amino-4-methyl-3-pyridinyl)-(1,1-dioxothiolan-3-yl)methanone
CID 115336278
1-(2-amino-4-methyl-3-pyridinyl)-2-ethoxybutan-1-one
CID 116707609
3-amino-3-cyclopropyl-1-(4-methoxyphenyl)propan-1-one
CID 116608794
1-(2-amino-4-methyl-3-pyridinyl)-2-hydroxy-2-methylbutan-1-one
CID 103446715
1-(2-amino-4-methyl-3-pyridinyl)-2-(3-chloro-2-fluorophenyl)ethanone
CID 82803269
(2-amino-4-methyl-3-pyridinyl)-(3-methyl-1,4-dithian-2-yl)methanone
CID 115385716

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(2-amino-4-methyl-3-pyridinyl)-3-cyclopropylpropan-1-one?
The IUPAC name of 3-amino-1-(2-amino-4-methyl-3-pyridinyl)-3-cyclopropylpropan-1-one (CID 116608700) is 3-amino-1-(2-amino-4-methyl-3-pyridinyl)-3-cyclopropylpropan-1-one.
What is the SMILES notation for 3-amino-1-(2-amino-4-methyl-3-pyridinyl)-3-cyclopropylpropan-1-one?
The canonical SMILES for 3-amino-1-(2-amino-4-methyl-3-pyridinyl)-3-cyclopropylpropan-1-one is Cc1ccnc(N)c1C(=O)CC(N)C1CC1.
What is the InChIKey of 3-amino-1-(2-amino-4-methyl-3-pyridinyl)-3-cyclopropylpropan-1-one?
The InChIKey is MBTREKQXOWZSKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O/c1-7-4-5-15-12(14)11(7)10(16)6-9(13)8-2-3-8/h4-5,8-9H,2-3,6,13H2,1H3,(H2,14,15).
What are the key properties of 3-amino-1-(2-amino-4-methyl-3-pyridinyl)-3-cyclopropylpropan-1-one?
3-amino-1-(2-amino-4-methyl-3-pyridinyl)-3-cyclopropylpropan-1-one has a molecular weight of 219.29 g/mol, XLogP of 1.28, 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-4-methyl-3-pyridinyl)-3-cyclopropylpropan-1-one is sourced from PubChem (CID 116608700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).