1-[5-[ethyl(prop-2-ynyl)amino]-2-pyridinyl]ethanone

C12H14N2O — CID 83119677

IUPAC1-[5-[ethyl(prop-2-ynyl)amino]-2-pyridinyl]ethanone
SMILESC#CCN(CC)c1ccc(C(C)=O)nc1
InChIInChI=1S/C12H14N2O/c1-4-8-14(5-2)11-6-7-12(10(3)15)13-9-11/h1,6-7,9H,5,8H2,2-3H3
InChIKeyBKLQHTCOKIUXCC-UHFFFAOYSA-N
MW202.26 g/mol
LogP1.74
Rot. Bonds4

About 1-[5-[ethyl(prop-2-ynyl)amino]-2-pyridinyl]ethanone

1-[5-[ethyl(prop-2-ynyl)amino]-2-pyridinyl]ethanone (PubChem CID 83119677) has the molecular formula C12H14N2O and a molecular weight of 202.26 g/mol. Its IUPAC name is 1-[5-[ethyl(prop-2-ynyl)amino]-2-pyridinyl]ethanone.

Molecular Properties

Compound Name1-[5-[ethyl(prop-2-ynyl)amino]-2-pyridinyl]ethanone
PubChem CID83119677
Molecular FormulaC12H14N2O
Molecular Weight202.26 g/mol
Exact Mass202.11
IUPAC Name1-[5-[ethyl(prop-2-ynyl)amino]-2-pyridinyl]ethanone
SMILESC#CCN(CC)c1ccc(C(C)=O)nc1
InChIInChI=1S/C12H14N2O/c1-4-8-14(5-2)11-6-7-12(10(3)15)13-9-11/h1,6-7,9H,5,8H2,2-3H3
InChIKeyBKLQHTCOKIUXCC-UHFFFAOYSA-N
XLogP1.74
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.26
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[5-[cyclopropylmethyl(prop-2-ynyl)amino]-2-pyridinyl]ethanone
CID 83119574
1-[5-[ethyl(2-methylprop-2-enyl)amino]-2-pyridinyl]ethanone
CID 83120327
1-[5-[2-ethoxyethyl(ethyl)amino]-2-pyridinyl]ethanone
CID 83119464
1-[5-(dimethylamino)-2-pyridinyl]ethanone
CID 45086299
1-[5-[butan-2-yl(ethyl)amino]-2-pyridinyl]ethanone
CID 83120329
1-[5-[prop-2-enyl(propyl)amino]-2-pyridinyl]ethanone
CID 83119863
5-[ethyl(2-methylprop-2-enyl)amino]pyridine-2-carboxylic acid
CID 115490751
5-[ethyl(2-methylpropyl)amino]pyridine-2-carboxylic acid
CID 115490768
1-[5-[ethyl(propyl)amino]-2-pyridinyl]propan-1-one
CID 112583508
1-[4-[5-(diethylamino)pyridine-2-carbonyl]piperazin-1-yl]ethanone
CID 109187248
5-[ethyl(2-methoxyethyl)amino]pyridine-2-carboxylic acid
CID 115490842
5-[ethyl(2-ethylbutyl)amino]pyridine-2-carboxylic acid
CID 115490832

Frequently Asked Questions

What is the IUPAC name of 1-[5-[ethyl(prop-2-ynyl)amino]-2-pyridinyl]ethanone?
The IUPAC name of 1-[5-[ethyl(prop-2-ynyl)amino]-2-pyridinyl]ethanone (CID 83119677) is 1-[5-[ethyl(prop-2-ynyl)amino]-2-pyridinyl]ethanone.
What is the SMILES notation for 1-[5-[ethyl(prop-2-ynyl)amino]-2-pyridinyl]ethanone?
The canonical SMILES for 1-[5-[ethyl(prop-2-ynyl)amino]-2-pyridinyl]ethanone is C#CCN(CC)c1ccc(C(C)=O)nc1.
What is the InChIKey of 1-[5-[ethyl(prop-2-ynyl)amino]-2-pyridinyl]ethanone?
The InChIKey is BKLQHTCOKIUXCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O/c1-4-8-14(5-2)11-6-7-12(10(3)15)13-9-11/h1,6-7,9H,5,8H2,2-3H3.
What are the key properties of 1-[5-[ethyl(prop-2-ynyl)amino]-2-pyridinyl]ethanone?
1-[5-[ethyl(prop-2-ynyl)amino]-2-pyridinyl]ethanone has a molecular weight of 202.26 g/mol, XLogP of 1.74, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[ethyl(prop-2-ynyl)amino]-2-pyridinyl]ethanone is sourced from PubChem (CID 83119677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).