(E)-N-[2-[methyl(propan-2-yl)amino]ethyl]-3-pyridin-2-ylprop-2-enamide

C14H21N3O — CID 75463833

IUPAC(E)-N-[2-[methyl(propan-2-yl)amino]ethyl]-3-pyridin-2-ylprop-2-enamide
SMILESCC(C)N(C)CCNC(=O)/C=C/c1ccccn1
InChIInChI=1S/C14H21N3O/c1-12(2)17(3)11-10-16-14(18)8-7-13-6-4-5-9-15-13/h4-9,12H,10-11H2,1-3H3,(H,16,18)/b8-7+
InChIKeyXKIMKCWJZZXZCP-BQYQJAHWSA-N
MW247.34 g/mol
LogP1.55
Rot. Bonds6

About (E)-N-[2-[methyl(propan-2-yl)amino]ethyl]-3-pyridin-2-ylprop-2-enamide

(E)-N-[2-[methyl(propan-2-yl)amino]ethyl]-3-pyridin-2-ylprop-2-enamide (PubChem CID 75463833) has the molecular formula C14H21N3O and a molecular weight of 247.34 g/mol. Its IUPAC name is (E)-N-[2-[methyl(propan-2-yl)amino]ethyl]-3-pyridin-2-ylprop-2-enamide.

Molecular Properties

Compound Name(E)-N-[2-[methyl(propan-2-yl)amino]ethyl]-3-pyridin-2-ylprop-2-enamide
PubChem CID75463833
Molecular FormulaC14H21N3O
Molecular Weight247.34 g/mol
Exact Mass247.17
IUPAC Name(E)-N-[2-[methyl(propan-2-yl)amino]ethyl]-3-pyridin-2-ylprop-2-enamide
SMILESCC(C)N(C)CCNC(=O)/C=C/c1ccccn1
InChIInChI=1S/C14H21N3O/c1-12(2)17(3)11-10-16-14(18)8-7-13-6-4-5-9-15-13/h4-9,12H,10-11H2,1-3H3,(H,16,18)/b8-7+
InChIKeyXKIMKCWJZZXZCP-BQYQJAHWSA-N
XLogP1.55
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 51.55
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

tert-butyl N-[2-(3-pyridin-2-ylprop-2-enoylamino)ethyl]carbamate
CID 103598780
(E)-N-(2-hydroxy-2-propylpentyl)-3-pyridin-2-ylprop-2-enamide
CID 111444784
(E)-N-[4-[ethyl(propan-2-yl)amino]phenyl]-3-pyridin-2-ylprop-2-enamide
CID 86992648
(E)-N-[2-[4-(2-methoxyethoxy)-3-sulfamoylphenyl]ethyl]-3-pyridin-2-ylprop-2-enamide
CID 18409174
propan-2-yl (E)-3-pyridin-2-ylprop-2-enoate
CID 11148208
(2R)-N,N-dimethyl-1-[3-[[(E)-3-pyridin-2-ylprop-2-enoyl]amino]propyl]pyrrolidine-2-carboxamide
CID 95338435
(2R)-N,N-dimethyl-1-[3-[[(Z)-3-pyridin-2-ylprop-2-enoyl]amino]propyl]pyrrolidine-2-carboxamide
CID 98481387
(Z)-N-[(1-phenylcyclopropyl)methyl]-3-pyridin-2-ylprop-2-enamide
CID 98448468
(E)-N-[2-[[6-(2-acetamidoethylamino)-2-phenylpyrimidin-4-yl]amino]ethyl]-3-pyridin-2-ylprop-2-enamide
CID 22379022
2-chloro-N-[2-[methyl(propan-2-yl)amino]ethyl]-2-phenylacetamide
CID 62640904
(E)-N-[(3-chlorophenyl)methyl]-3-pyridin-2-ylprop-2-enamide
CID 47299986
4-methoxy-N,N-dimethyl-3-[[(Z)-3-pyridin-2-ylprop-2-enoyl]amino]benzamide
CID 94630116

Frequently Asked Questions

What is the IUPAC name of (E)-N-[2-[methyl(propan-2-yl)amino]ethyl]-3-pyridin-2-ylprop-2-enamide?
The IUPAC name of (E)-N-[2-[methyl(propan-2-yl)amino]ethyl]-3-pyridin-2-ylprop-2-enamide (CID 75463833) is (E)-N-[2-[methyl(propan-2-yl)amino]ethyl]-3-pyridin-2-ylprop-2-enamide.
What is the SMILES notation for (E)-N-[2-[methyl(propan-2-yl)amino]ethyl]-3-pyridin-2-ylprop-2-enamide?
The canonical SMILES for (E)-N-[2-[methyl(propan-2-yl)amino]ethyl]-3-pyridin-2-ylprop-2-enamide is CC(C)N(C)CCNC(=O)/C=C/c1ccccn1.
What is the InChIKey of (E)-N-[2-[methyl(propan-2-yl)amino]ethyl]-3-pyridin-2-ylprop-2-enamide?
The InChIKey is XKIMKCWJZZXZCP-BQYQJAHWSA-N. The full InChI is InChI=1S/C14H21N3O/c1-12(2)17(3)11-10-16-14(18)8-7-13-6-4-5-9-15-13/h4-9,12H,10-11H2,1-3H3,(H,16,18)/b8-7+.
What are the key properties of (E)-N-[2-[methyl(propan-2-yl)amino]ethyl]-3-pyridin-2-ylprop-2-enamide?
(E)-N-[2-[methyl(propan-2-yl)amino]ethyl]-3-pyridin-2-ylprop-2-enamide has a molecular weight of 247.34 g/mol, XLogP of 1.55, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[2-[methyl(propan-2-yl)amino]ethyl]-3-pyridin-2-ylprop-2-enamide is sourced from PubChem (CID 75463833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).