1-(2-amino-4-pyridinyl)-3-(propylamino)propan-2-one

C11H17N3O — CID 116562828

IUPAC1-(2-amino-4-pyridinyl)-3-(propylamino)propan-2-one
SMILESCCCNCC(=O)Cc1ccnc(N)c1
InChIInChI=1S/C11H17N3O/c1-2-4-13-8-10(15)6-9-3-5-14-11(12)7-9/h3,5,7,13H,2,4,6,8H2,1H3,(H2,12,14)
InChIKeyCZXZYQKCACIPIB-UHFFFAOYSA-N
MW207.28 g/mol
LogP0.77
Rot. Bonds6

About 1-(2-amino-4-pyridinyl)-3-(propylamino)propan-2-one

1-(2-amino-4-pyridinyl)-3-(propylamino)propan-2-one (PubChem CID 116562828) has the molecular formula C11H17N3O and a molecular weight of 207.28 g/mol. Its IUPAC name is 1-(2-amino-4-pyridinyl)-3-(propylamino)propan-2-one.

Molecular Properties

Compound Name1-(2-amino-4-pyridinyl)-3-(propylamino)propan-2-one
PubChem CID116562828
Molecular FormulaC11H17N3O
Molecular Weight207.28 g/mol
Exact Mass207.14
IUPAC Name1-(2-amino-4-pyridinyl)-3-(propylamino)propan-2-one
SMILESCCCNCC(=O)Cc1ccnc(N)c1
InChIInChI=1S/C11H17N3O/c1-2-4-13-8-10(15)6-9-3-5-14-11(12)7-9/h3,5,7,13H,2,4,6,8H2,1H3,(H2,12,14)
InChIKeyCZXZYQKCACIPIB-UHFFFAOYSA-N
XLogP0.77
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.28
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-[2-methyl-5-(propylamino)pent-2-enyl]pyridin-2-amine
CID 79599107
1-(furan-3-yl)-3-(propylamino)propan-2-one
CID 116562918
4-amino-1-(2-amino-4-pyridinyl)pentan-2-one
CID 116555905
3-amino-1-(2-amino-4-pyridinyl)hexan-2-one
CID 116554635
1-(4-amino-3-pyridinyl)-3-(propylamino)propan-2-one
CID 116562799
1-(2-amino-4-pyridinyl)-3-methylbut-3-en-2-one
CID 103446347
3-(2-amino-4-pyridinyl)-1,1-dimethoxypropan-2-one
CID 79492824
1-(5-ethyl-2-pyridinyl)-3-(propylamino)propan-2-one
CID 116562736
4-[5-(ethylamino)-2-methylpent-2-enyl]pyridin-2-amine
CID 79598454
1-(3-bromo-4-methoxyphenyl)-3-(propylamino)propan-2-one
CID 116562954
1-(3-amino-5-bromophenyl)-2-(2-amino-4-pyridinyl)ethanone
CID 116597144
ethane;4-ethylpyridin-2-amine
CID 144736585

Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-4-pyridinyl)-3-(propylamino)propan-2-one?
The IUPAC name of 1-(2-amino-4-pyridinyl)-3-(propylamino)propan-2-one (CID 116562828) is 1-(2-amino-4-pyridinyl)-3-(propylamino)propan-2-one.
What is the SMILES notation for 1-(2-amino-4-pyridinyl)-3-(propylamino)propan-2-one?
The canonical SMILES for 1-(2-amino-4-pyridinyl)-3-(propylamino)propan-2-one is CCCNCC(=O)Cc1ccnc(N)c1.
What is the InChIKey of 1-(2-amino-4-pyridinyl)-3-(propylamino)propan-2-one?
The InChIKey is CZXZYQKCACIPIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O/c1-2-4-13-8-10(15)6-9-3-5-14-11(12)7-9/h3,5,7,13H,2,4,6,8H2,1H3,(H2,12,14).
What are the key properties of 1-(2-amino-4-pyridinyl)-3-(propylamino)propan-2-one?
1-(2-amino-4-pyridinyl)-3-(propylamino)propan-2-one has a molecular weight of 207.28 g/mol, XLogP of 0.77, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-4-pyridinyl)-3-(propylamino)propan-2-one is sourced from PubChem (CID 116562828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).