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

C10H15N3O — CID 116555905

IUPAC4-amino-1-(2-amino-4-pyridinyl)pentan-2-one
SMILESCC(N)CC(=O)Cc1ccnc(N)c1
InChIInChI=1S/C10H15N3O/c1-7(11)4-9(14)5-8-2-3-13-10(12)6-8/h2-3,6-7H,4-5,11H2,1H3,(H2,12,13)
InChIKeyNOTPEEHGFSRQOA-UHFFFAOYSA-N
MW193.25 g/mol
LogP0.51
Rot. Bonds4

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

4-amino-1-(2-amino-4-pyridinyl)pentan-2-one (PubChem CID 116555905) has the molecular formula C10H15N3O and a molecular weight of 193.25 g/mol. Its IUPAC name is 4-amino-1-(2-amino-4-pyridinyl)pentan-2-one.

Molecular Properties

Compound Name4-amino-1-(2-amino-4-pyridinyl)pentan-2-one
PubChem CID116555905
Molecular FormulaC10H15N3O
Molecular Weight193.25 g/mol
Exact Mass193.12
IUPAC Name4-amino-1-(2-amino-4-pyridinyl)pentan-2-one
SMILESCC(N)CC(=O)Cc1ccnc(N)c1
InChIInChI=1S/C10H15N3O/c1-7(11)4-9(14)5-8-2-3-13-10(12)6-8/h2-3,6-7H,4-5,11H2,1H3,(H2,12,13)
InChIKeyNOTPEEHGFSRQOA-UHFFFAOYSA-N
XLogP0.51
TPSA82.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 50.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2-amino-4-pyridinyl)-1,1-dimethoxypropan-2-one
CID 79492824
3-amino-1-(2-amino-4-pyridinyl)hexan-2-one
CID 116554635
4-amino-1-(furan-3-yl)pentan-2-one
CID 116555995
1-(2-amino-4-pyridinyl)-3-(propylamino)propan-2-one
CID 116562828
1-(2-amino-4-pyridinyl)-3-methylbut-3-en-2-one
CID 103446347
4-amino-1-(3-methylphenyl)pentan-2-one
CID 116555932
4-amino-1-(4-hydroxyphenyl)pentan-2-one
CID 116555956
4-(aminomethyl)pyridin-2-amine;methane
CID 158878450
2-(2-amino-4-pyridinyl)-1-(3,4-dichlorophenyl)ethanone
CID 81491660
3-(2-amino-4-pyridinyl)-2,2-dimethylpropanoic acid
CID 156541138
(2-amino-4-pyridinyl)methyl propanoate
CID 166101515
ethane;4-ethylpyridin-2-amine
CID 144736585

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-(2-amino-4-pyridinyl)pentan-2-one?
The IUPAC name of 4-amino-1-(2-amino-4-pyridinyl)pentan-2-one (CID 116555905) is 4-amino-1-(2-amino-4-pyridinyl)pentan-2-one.
What is the SMILES notation for 4-amino-1-(2-amino-4-pyridinyl)pentan-2-one?
The canonical SMILES for 4-amino-1-(2-amino-4-pyridinyl)pentan-2-one is CC(N)CC(=O)Cc1ccnc(N)c1.
What is the InChIKey of 4-amino-1-(2-amino-4-pyridinyl)pentan-2-one?
The InChIKey is NOTPEEHGFSRQOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O/c1-7(11)4-9(14)5-8-2-3-13-10(12)6-8/h2-3,6-7H,4-5,11H2,1H3,(H2,12,13).
What are the key properties of 4-amino-1-(2-amino-4-pyridinyl)pentan-2-one?
4-amino-1-(2-amino-4-pyridinyl)pentan-2-one has a molecular weight of 193.25 g/mol, XLogP of 0.51, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-(2-amino-4-pyridinyl)pentan-2-one is sourced from PubChem (CID 116555905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).