(E)-4-(dimethylamino)-N-[2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)ethyl]but-2-enamide

C14H25N3O — CID 146097624

IUPAC(E)-4-(dimethylamino)-N-[2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)ethyl]but-2-enamide
SMILESCN(C)C/C=C/C(=O)NCCC1=CCN(C)CC1
InChIInChI=1S/C14H25N3O/c1-16(2)10-4-5-14(18)15-9-6-13-7-11-17(3)12-8-13/h4-5,7H,6,8-12H2,1-3H3,(H,15,18)/b5-4+
InChIKeyJDRUDCXPBSVANT-SNAWJCMRSA-N
MW251.37 g/mol
LogP0.87
Rot. Bonds6

About (E)-4-(dimethylamino)-N-[2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)ethyl]but-2-enamide

(E)-4-(dimethylamino)-N-[2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)ethyl]but-2-enamide (PubChem CID 146097624) has the molecular formula C14H25N3O and a molecular weight of 251.37 g/mol. Its IUPAC name is (E)-4-(dimethylamino)-N-[2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)ethyl]but-2-enamide.

Molecular Properties

Compound Name(E)-4-(dimethylamino)-N-[2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)ethyl]but-2-enamide
PubChem CID146097624
Molecular FormulaC14H25N3O
Molecular Weight251.37 g/mol
Exact Mass251.20
IUPAC Name(E)-4-(dimethylamino)-N-[2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)ethyl]but-2-enamide
SMILESCN(C)C/C=C/C(=O)NCCC1=CCN(C)CC1
InChIInChI=1S/C14H25N3O/c1-16(2)10-4-5-14(18)15-9-6-13-7-11-17(3)12-8-13/h4-5,7H,6,8-12H2,1-3H3,(H,15,18)/b5-4+
InChIKeyJDRUDCXPBSVANT-SNAWJCMRSA-N
XLogP0.87
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-methyl-N-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)propyl]propanamide
CID 134570618
(E)-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]but-2-enamide
CID 107486630
(E)-N-(4-acetamidobutyl)-4-(dimethylamino)but-2-enamide
CID 142551928
N-methyl-4-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)butan-1-amine
CID 117205763
3-methoxy-N-methyl-N-[2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)ethyl]propanamide
CID 56708215
(E)-4-(dimethylamino)-N-[2-[2-(dimethylamino)-4-methyl-1,3-thiazol-5-yl]ethyl]but-2-enamide
CID 146100985
(E)-4-(dimethylamino)-N-[2-(3-oxo-1,4-benzoxazin-4-yl)ethyl]but-2-enamide
CID 146100935
ethyl 4-[2-(cyclohexen-1-yl)ethylamino]-4-oxobut-2-enoate
CID 3319039
(E)-N-(azetidin-3-ylmethyl)-4-(dimethylamino)but-2-enamide
CID 178119672
(E)-N-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-4-(dimethylamino)but-2-enamide
CID 166404770
(E)-N-[[1-(aminomethyl)azetidin-3-yl]methyl]-4-(dimethylamino)but-2-enamide
CID 178118707
N-[(1-methyl-3,6-dihydro-2H-pyridin-4-yl)methyl]-2-phenylmethoxyacetamide
CID 50950025

Frequently Asked Questions

What is the IUPAC name of (E)-4-(dimethylamino)-N-[2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)ethyl]but-2-enamide?
The IUPAC name of (E)-4-(dimethylamino)-N-[2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)ethyl]but-2-enamide (CID 146097624) is (E)-4-(dimethylamino)-N-[2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)ethyl]but-2-enamide.
What is the SMILES notation for (E)-4-(dimethylamino)-N-[2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)ethyl]but-2-enamide?
The canonical SMILES for (E)-4-(dimethylamino)-N-[2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)ethyl]but-2-enamide is CN(C)C/C=C/C(=O)NCCC1=CCN(C)CC1.
What is the InChIKey of (E)-4-(dimethylamino)-N-[2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)ethyl]but-2-enamide?
The InChIKey is JDRUDCXPBSVANT-SNAWJCMRSA-N. The full InChI is InChI=1S/C14H25N3O/c1-16(2)10-4-5-14(18)15-9-6-13-7-11-17(3)12-8-13/h4-5,7H,6,8-12H2,1-3H3,(H,15,18)/b5-4+.
What are the key properties of (E)-4-(dimethylamino)-N-[2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)ethyl]but-2-enamide?
(E)-4-(dimethylamino)-N-[2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)ethyl]but-2-enamide has a molecular weight of 251.37 g/mol, XLogP of 0.87, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-(dimethylamino)-N-[2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)ethyl]but-2-enamide is sourced from PubChem (CID 146097624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).