1-[5-[prop-2-enyl(propyl)amino]-2-pyridinyl]ethanone

C13H18N2O — CID 83119863

IUPAC1-[5-[prop-2-enyl(propyl)amino]-2-pyridinyl]ethanone
SMILESC=CCN(CCC)c1ccc(C(C)=O)nc1
InChIInChI=1S/C13H18N2O/c1-4-8-15(9-5-2)12-6-7-13(11(3)16)14-10-12/h4,6-7,10H,1,5,8-9H2,2-3H3
InChIKeyNUMUNKYIVKFAQP-UHFFFAOYSA-N
MW218.30 g/mol
LogP2.69
Rot. Bonds6

About 1-[5-[prop-2-enyl(propyl)amino]-2-pyridinyl]ethanone

1-[5-[prop-2-enyl(propyl)amino]-2-pyridinyl]ethanone (PubChem CID 83119863) has the molecular formula C13H18N2O and a molecular weight of 218.30 g/mol. Its IUPAC name is 1-[5-[prop-2-enyl(propyl)amino]-2-pyridinyl]ethanone.

Molecular Properties

Compound Name1-[5-[prop-2-enyl(propyl)amino]-2-pyridinyl]ethanone
PubChem CID83119863
Molecular FormulaC13H18N2O
Molecular Weight218.30 g/mol
Exact Mass218.14
IUPAC Name1-[5-[prop-2-enyl(propyl)amino]-2-pyridinyl]ethanone
SMILESC=CCN(CCC)c1ccc(C(C)=O)nc1
InChIInChI=1S/C13H18N2O/c1-4-8-15(9-5-2)12-6-7-13(11(3)16)14-10-12/h4,6-7,10H,1,5,8-9H2,2-3H3
InChIKeyNUMUNKYIVKFAQP-UHFFFAOYSA-N
XLogP2.69
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[5-(dipropylamino)-2-pyridinyl]propan-1-one
CID 112583475
1-[5-[ethyl(2-methylprop-2-enyl)amino]-2-pyridinyl]ethanone
CID 83120327
1-[5-[ethyl(propyl)amino]-2-pyridinyl]propan-1-one
CID 112583508
1-[5-[2-ethoxyethyl(ethyl)amino]-2-pyridinyl]ethanone
CID 83119464
1-[5-[ethyl(prop-2-ynyl)amino]-2-pyridinyl]ethanone
CID 83119677
6-[1-(ethylamino)propyl]-N-prop-2-enyl-N-propylpyridin-3-amine
CID 112584559
1-[5-(dimethylamino)-2-pyridinyl]ethanone
CID 45086299
methyl 2-amino-5-[5-[pentyl(prop-2-enyl)amino]pyridine-2-carbonyl]benzoate
CID 66633632
N-prop-2-enyl-N-propylaniline;hydrochloride
CID 131737394
5-(dipropylamino)-N-ethyl-N-(3-methylphenyl)pyridine-2-carboxamide
CID 109196689
1-[5-[butan-2-yl(ethyl)amino]-2-pyridinyl]ethanone
CID 83120329
2-[[6-[(1S)-1-aminopropyl]-3-pyridinyl]-prop-2-enylamino]ethanol
CID 104869538

Frequently Asked Questions

What is the IUPAC name of 1-[5-[prop-2-enyl(propyl)amino]-2-pyridinyl]ethanone?
The IUPAC name of 1-[5-[prop-2-enyl(propyl)amino]-2-pyridinyl]ethanone (CID 83119863) is 1-[5-[prop-2-enyl(propyl)amino]-2-pyridinyl]ethanone.
What is the SMILES notation for 1-[5-[prop-2-enyl(propyl)amino]-2-pyridinyl]ethanone?
The canonical SMILES for 1-[5-[prop-2-enyl(propyl)amino]-2-pyridinyl]ethanone is C=CCN(CCC)c1ccc(C(C)=O)nc1.
What is the InChIKey of 1-[5-[prop-2-enyl(propyl)amino]-2-pyridinyl]ethanone?
The InChIKey is NUMUNKYIVKFAQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O/c1-4-8-15(9-5-2)12-6-7-13(11(3)16)14-10-12/h4,6-7,10H,1,5,8-9H2,2-3H3.
What are the key properties of 1-[5-[prop-2-enyl(propyl)amino]-2-pyridinyl]ethanone?
1-[5-[prop-2-enyl(propyl)amino]-2-pyridinyl]ethanone has a molecular weight of 218.30 g/mol, XLogP of 2.69, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[prop-2-enyl(propyl)amino]-2-pyridinyl]ethanone is sourced from PubChem (CID 83119863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).