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

C11H17N3O — CID 116608992

IUPAC3-amino-1-(2-amino-4-methyl-3-pyridinyl)pentan-1-one
SMILESCCC(N)CC(=O)c1c(C)ccnc1N
InChIInChI=1S/C11H17N3O/c1-3-8(12)6-9(15)10-7(2)4-5-14-11(10)13/h4-5,8H,3,6,12H2,1-2H3,(H2,13,14)
InChIKeyHSFIKVVJEJDFFH-UHFFFAOYSA-N
MW207.28 g/mol
LogP1.28
Rot. Bonds4

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

3-amino-1-(2-amino-4-methyl-3-pyridinyl)pentan-1-one (PubChem CID 116608992) has the molecular formula C11H17N3O and a molecular weight of 207.28 g/mol. Its IUPAC name is 3-amino-1-(2-amino-4-methyl-3-pyridinyl)pentan-1-one.

Molecular Properties

Compound Name3-amino-1-(2-amino-4-methyl-3-pyridinyl)pentan-1-one
PubChem CID116608992
Molecular FormulaC11H17N3O
Molecular Weight207.28 g/mol
Exact Mass207.14
IUPAC Name3-amino-1-(2-amino-4-methyl-3-pyridinyl)pentan-1-one
SMILESCCC(N)CC(=O)c1c(C)ccnc1N
InChIInChI=1S/C11H17N3O/c1-3-8(12)6-9(15)10-7(2)4-5-14-11(10)13/h4-5,8H,3,6,12H2,1-2H3,(H2,13,14)
InChIKeyHSFIKVVJEJDFFH-UHFFFAOYSA-N
XLogP1.28
TPSA82.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.28
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)-5,5-dimethylhexan-1-one
CID 116614579
3-amino-1-(2-amino-4-methyl-3-pyridinyl)-3-cyclopropylpropan-1-one
CID 116608700
1-(2-amino-4-methyl-3-pyridinyl)-2-(propylamino)ethanone
CID 116562759
1-(2-amino-4-methyl-3-pyridinyl)-2-ethoxybutan-1-one
CID 116707609
2-amino-1-(2-amino-4-methyl-3-pyridinyl)-3-methoxypropan-1-one
CID 116593978
1-(2-amino-4-methyl-3-pyridinyl)-2-hydroxy-2-methylbutan-1-one
CID 103446715
3-amino-1-(2,6-dimethoxyphenyl)pentan-1-one
CID 116811619
1-(2-amino-4-methyl-3-pyridinyl)-2-(3-chloro-2-fluorophenyl)ethanone
CID 82803269
(2-amino-4-methyl-3-pyridinyl)-(2-ethoxyphenyl)methanone
CID 113330341
(2-amino-4-methyl-3-pyridinyl)-(2,2-dimethylcyclopropyl)methanone
CID 107925467
(2-amino-4-methyl-3-pyridinyl)-(1-ethoxycycloheptyl)methanone
CID 116750801
2-amino-4-methylpyridine-3-carbonitrile;2-amino-4-methylpyridine-3-carboxylic acid
CID 161035113

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(2-amino-4-methyl-3-pyridinyl)pentan-1-one?
The IUPAC name of 3-amino-1-(2-amino-4-methyl-3-pyridinyl)pentan-1-one (CID 116608992) is 3-amino-1-(2-amino-4-methyl-3-pyridinyl)pentan-1-one.
What is the SMILES notation for 3-amino-1-(2-amino-4-methyl-3-pyridinyl)pentan-1-one?
The canonical SMILES for 3-amino-1-(2-amino-4-methyl-3-pyridinyl)pentan-1-one is CCC(N)CC(=O)c1c(C)ccnc1N.
What is the InChIKey of 3-amino-1-(2-amino-4-methyl-3-pyridinyl)pentan-1-one?
The InChIKey is HSFIKVVJEJDFFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O/c1-3-8(12)6-9(15)10-7(2)4-5-14-11(10)13/h4-5,8H,3,6,12H2,1-2H3,(H2,13,14).
What are the key properties of 3-amino-1-(2-amino-4-methyl-3-pyridinyl)pentan-1-one?
3-amino-1-(2-amino-4-methyl-3-pyridinyl)pentan-1-one has a molecular weight of 207.28 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)pentan-1-one is sourced from PubChem (CID 116608992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).