N-[6-(diethylamino)-3-pyridinyl]-3-methylbut-2-enamide

C14H21N3O — CID 47243914

IUPACN-[6-(diethylamino)-3-pyridinyl]-3-methylbut-2-enamide
SMILESCCN(CC)c1ccc(NC(=O)C=C(C)C)cn1
InChIInChI=1S/C14H21N3O/c1-5-17(6-2)13-8-7-12(10-15-13)16-14(18)9-11(3)4/h7-10H,5-6H2,1-4H3,(H,16,18)
InChIKeyOBLOZTWCOAQAOX-UHFFFAOYSA-N
MW247.34 g/mol
LogP2.83
Rot. Bonds5

About N-[6-(diethylamino)-3-pyridinyl]-3-methylbut-2-enamide

N-[6-(diethylamino)-3-pyridinyl]-3-methylbut-2-enamide (PubChem CID 47243914) has the molecular formula C14H21N3O and a molecular weight of 247.34 g/mol. Its IUPAC name is N-[6-(diethylamino)-3-pyridinyl]-3-methylbut-2-enamide.

Molecular Properties

Compound NameN-[6-(diethylamino)-3-pyridinyl]-3-methylbut-2-enamide
PubChem CID47243914
Molecular FormulaC14H21N3O
Molecular Weight247.34 g/mol
Exact Mass247.17
IUPAC NameN-[6-(diethylamino)-3-pyridinyl]-3-methylbut-2-enamide
SMILESCCN(CC)c1ccc(NC(=O)C=C(C)C)cn1
InChIInChI=1S/C14H21N3O/c1-5-17(6-2)13-8-7-12(10-15-13)16-14(18)9-11(3)4/h7-10H,5-6H2,1-4H3,(H,16,18)
InChIKeyOBLOZTWCOAQAOX-UHFFFAOYSA-N
XLogP2.83
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

2-[[6-(diethylamino)-3-pyridinyl]carbamoylamino]-N,N-dimethylacetamide
CID 47041050
1-[6-(diethylamino)-3-pyridinyl]-3-[(2R)-1-hydroxybutan-2-yl]urea
CID 94168619
N-[6-(diethylamino)-3-pyridinyl]-2-(4-methylphenyl)acetamide
CID 113014581
2-amino-N-[6-(diethylamino)-3-pyridinyl]-3-methylbutanamide
CID 43705956
(2R)-2-amino-N-[6-(diethylamino)-3-pyridinyl]-3,3-dimethylbutanamide
CID 103928749
2-amino-N-[6-(diethylamino)-3-pyridinyl]-3,3-dimethylbutanamide
CID 76887277
N-[6-(diethylamino)-3-pyridinyl]-1H-pyrazole-4-carboxamide
CID 60971845
1-[6-(diethylamino)-3-pyridinyl]-3-(4-hydroxycyclohexyl)urea
CID 51082122
2-[1-(aminomethyl)cyclobutyl]-N-[6-(diethylamino)-3-pyridinyl]acetamide
CID 81171833
4-amino-N-[6-(diethylamino)-3-pyridinyl]-3-methylbutanamide
CID 81076308
2,2,2-trifluoroethyl N-[6-(diethylamino)-3-pyridinyl]carbamate
CID 47002275
(2S)-2-amino-N-[6-(diethylamino)-3-pyridinyl]-3-phenylpropanamide;dihydrochloride
CID 119845900

Frequently Asked Questions

What is the IUPAC name of N-[6-(diethylamino)-3-pyridinyl]-3-methylbut-2-enamide?
The IUPAC name of N-[6-(diethylamino)-3-pyridinyl]-3-methylbut-2-enamide (CID 47243914) is N-[6-(diethylamino)-3-pyridinyl]-3-methylbut-2-enamide.
What is the SMILES notation for N-[6-(diethylamino)-3-pyridinyl]-3-methylbut-2-enamide?
The canonical SMILES for N-[6-(diethylamino)-3-pyridinyl]-3-methylbut-2-enamide is CCN(CC)c1ccc(NC(=O)C=C(C)C)cn1.
What is the InChIKey of N-[6-(diethylamino)-3-pyridinyl]-3-methylbut-2-enamide?
The InChIKey is OBLOZTWCOAQAOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O/c1-5-17(6-2)13-8-7-12(10-15-13)16-14(18)9-11(3)4/h7-10H,5-6H2,1-4H3,(H,16,18).
What are the key properties of N-[6-(diethylamino)-3-pyridinyl]-3-methylbut-2-enamide?
N-[6-(diethylamino)-3-pyridinyl]-3-methylbut-2-enamide has a molecular weight of 247.34 g/mol, XLogP of 2.83, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(diethylamino)-3-pyridinyl]-3-methylbut-2-enamide is sourced from PubChem (CID 47243914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).