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

6-Aminonicotinamide
CID 9500
2-Aminopyridine-3-carboxamide
CID 506623
6-amino-N-(3,3-diphenylpropyl)nicotinamide
CID 11976309
1,2-Diphenyl-2-(pyridin-2-ylamino)ethanone
CID 31559
2,6-Bis(tert-butylamino)-4-methylpyridin-3-yl methyl ketone
CID 94005
6-(Cyclopentylamino)pyridine-3-Carboxamide
CID 112722808
6-(Benzylamino)pyridine-3-carboxamide
CID 3031427
2-(4-phenylbutyl)pyrido[2,3-d]pyrimidin-4(3H)-one
CID 135899247
2-Phenyl-1,8-naphthyridin-4-ol
CID 377427
2-m-Tolyl-1H-[1,8]naphthyridin-4-one
CID 385181
5-methyl-2-(3-methylphenyl)-1H-1,8-naphthyridin-4-one
CID 385182
6-Methyl-2-m-tolyl-1H-[1,8]naphthyridin-4-one
CID 385183

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).