(E)-4-(dimethylamino)-N-methyl-N-(3-pyridin-3-ylcyclobutyl)but-2-enamide

C16H23N3O — CID 146076745

IUPAC(E)-4-(dimethylamino)-N-methyl-N-(3-pyridin-3-ylcyclobutyl)but-2-enamide
SMILESCN(C)C/C=C/C(=O)N(C)C1CC(c2cccnc2)C1
InChIInChI=1S/C16H23N3O/c1-18(2)9-5-7-16(20)19(3)15-10-14(11-15)13-6-4-8-17-12-13/h4-8,12,14-15H,9-11H2,1-3H3/b7-5+
InChIKeyXHFGPVRHCWSULH-FNORWQNLSA-N
MW273.38 g/mol
LogP1.90
Rot. Bonds5

About (E)-4-(dimethylamino)-N-methyl-N-(3-pyridin-3-ylcyclobutyl)but-2-enamide

(E)-4-(dimethylamino)-N-methyl-N-(3-pyridin-3-ylcyclobutyl)but-2-enamide (PubChem CID 146076745) has the molecular formula C16H23N3O and a molecular weight of 273.38 g/mol. Its IUPAC name is (E)-4-(dimethylamino)-N-methyl-N-(3-pyridin-3-ylcyclobutyl)but-2-enamide.

Molecular Properties

Compound Name(E)-4-(dimethylamino)-N-methyl-N-(3-pyridin-3-ylcyclobutyl)but-2-enamide
PubChem CID146076745
Molecular FormulaC16H23N3O
Molecular Weight273.38 g/mol
Exact Mass273.18
IUPAC Name(E)-4-(dimethylamino)-N-methyl-N-(3-pyridin-3-ylcyclobutyl)but-2-enamide
SMILESCN(C)C/C=C/C(=O)N(C)C1CC(c2cccnc2)C1
InChIInChI=1S/C16H23N3O/c1-18(2)9-5-7-16(20)19(3)15-10-14(11-15)13-6-4-8-17-12-13/h4-8,12,14-15H,9-11H2,1-3H3/b7-5+
InChIKeyXHFGPVRHCWSULH-FNORWQNLSA-N
XLogP1.90
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(E)-4-(dimethylamino)-N-methyl-N-(1-pyridin-3-ylethyl)but-2-enamide
CID 146076991
N,5-dimethyl-1-(6-oxo-1H-pyridazin-3-yl)-N-(3-pyridin-3-ylcyclobutyl)pyrazole-4-carboxamide
CID 154847839
(E)-4-[methyl(pyridin-3-yl)amino]but-2-enoic acid
CID 115237054
N-(3-pyridin-3-ylcyclobutyl)prop-2-enamide
CID 166416193
3-[3-(3,5-dipyridin-3-ylcyclohexyl)-5-pyridin-3-ylcyclohexyl]pyridine
CID 58652188
1-(4-pyridin-3-ylpiperidin-1-yl)ethanone
CID 129301457
(E)-4-[methyl(2-pyridin-3-ylethyl)amino]but-2-enoic acid
CID 115237374
(2S)-3-acetyl-4-hydroxy-2-pyridin-3-yl-1,2-dihydropyrrol-5-one
CID 7235878
4-pyridin-3-ylcyclohexane-1-carboxylic acid
CID 82282997
2-amino-1-(4-pyridin-3-ylpiperidin-1-yl)ethanone
CID 82127506
1-[(1S,2S)-2-pyridin-3-ylcyclopropyl]propan-1-one
CID 138715755
trans-methyl (1R,2R)-2-pyridin-3-ylcyclopropane-1-carboxylate
CID 118994202

Frequently Asked Questions

What is the IUPAC name of (E)-4-(dimethylamino)-N-methyl-N-(3-pyridin-3-ylcyclobutyl)but-2-enamide?
The IUPAC name of (E)-4-(dimethylamino)-N-methyl-N-(3-pyridin-3-ylcyclobutyl)but-2-enamide (CID 146076745) is (E)-4-(dimethylamino)-N-methyl-N-(3-pyridin-3-ylcyclobutyl)but-2-enamide.
What is the SMILES notation for (E)-4-(dimethylamino)-N-methyl-N-(3-pyridin-3-ylcyclobutyl)but-2-enamide?
The canonical SMILES for (E)-4-(dimethylamino)-N-methyl-N-(3-pyridin-3-ylcyclobutyl)but-2-enamide is CN(C)C/C=C/C(=O)N(C)C1CC(c2cccnc2)C1.
What is the InChIKey of (E)-4-(dimethylamino)-N-methyl-N-(3-pyridin-3-ylcyclobutyl)but-2-enamide?
The InChIKey is XHFGPVRHCWSULH-FNORWQNLSA-N. The full InChI is InChI=1S/C16H23N3O/c1-18(2)9-5-7-16(20)19(3)15-10-14(11-15)13-6-4-8-17-12-13/h4-8,12,14-15H,9-11H2,1-3H3/b7-5+.
What are the key properties of (E)-4-(dimethylamino)-N-methyl-N-(3-pyridin-3-ylcyclobutyl)but-2-enamide?
(E)-4-(dimethylamino)-N-methyl-N-(3-pyridin-3-ylcyclobutyl)but-2-enamide has a molecular weight of 273.38 g/mol, XLogP of 1.90, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-(dimethylamino)-N-methyl-N-(3-pyridin-3-ylcyclobutyl)but-2-enamide is sourced from PubChem (CID 146076745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).