(E)-4-(dimethylamino)-N-(6-methyl-3-pyridinyl)but-2-enamide

C12H17N3O — CID 153303846

IUPAC(E)-4-(dimethylamino)-N-(6-methyl-3-pyridinyl)but-2-enamide
SMILESCc1ccc(NC(=O)/C=C/CN(C)C)cn1
InChIInChI=1S/C12H17N3O/c1-10-6-7-11(9-13-10)14-12(16)5-4-8-15(2)3/h4-7,9H,8H2,1-3H3,(H,14,16)/b5-4+
InChIKeyJVOSZBHPLLYAJD-SNAWJCMRSA-N
MW219.29 g/mol
LogP1.45
Rot. Bonds4

About (E)-4-(dimethylamino)-N-(6-methyl-3-pyridinyl)but-2-enamide

(E)-4-(dimethylamino)-N-(6-methyl-3-pyridinyl)but-2-enamide (PubChem CID 153303846) has the molecular formula C12H17N3O and a molecular weight of 219.29 g/mol. Its IUPAC name is (E)-4-(dimethylamino)-N-(6-methyl-3-pyridinyl)but-2-enamide.

Molecular Properties

Compound Name(E)-4-(dimethylamino)-N-(6-methyl-3-pyridinyl)but-2-enamide
PubChem CID153303846
Molecular FormulaC12H17N3O
Molecular Weight219.29 g/mol
Exact Mass219.14
IUPAC Name(E)-4-(dimethylamino)-N-(6-methyl-3-pyridinyl)but-2-enamide
SMILESCc1ccc(NC(=O)/C=C/CN(C)C)cn1
InChIInChI=1S/C12H17N3O/c1-10-6-7-11(9-13-10)14-12(16)5-4-8-15(2)3/h4-7,9H,8H2,1-3H3,(H,14,16)/b5-4+
InChIKeyJVOSZBHPLLYAJD-SNAWJCMRSA-N
XLogP1.45
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.29
LogP ≤ 51.45
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

4-(dimethylamino)-N-phenylbut-2-enamide
CID 72514761
(E)-4-(dimethylamino)-N-(4-ethenylphenyl)but-2-enamide
CID 144832726
(E)-4-(dimethylamino)-N-(3-methylphenyl)but-2-enamide
CID 118034064
4-[4-(dimethylamino)but-2-enoylamino]benzoyl chloride
CID 123561810
(E)-4-(dimethylamino)-N-[6-[[(1-methylcyclohexyl)amino]methyl]-3-pyridinyl]but-2-enamide
CID 138657690
1,3-bis(6-methyl-3-pyridinyl)urea
CID 102308841
N-[4-[[(E)-4-(dimethylamino)but-2-enoyl]amino]phenyl]-5-methylthiophene-2-carboxamide
CID 176557413
N-cyclohexyl-4-[[(E)-4-(dimethylamino)but-2-enoyl]amino]benzamide
CID 135141538
(E)-4-(dimethylamino)-N-[4-(3-methylanilino)quinazolin-6-yl]but-2-enamide
CID 71215453
(E)-4-(dimethylamino)-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)but-2-enamide
CID 172614120
2-[(6-methyl-3-pyridinyl)amino]acetic acid
CID 20805778
(E)-N-(4-anilinoquinazolin-6-yl)-4-(dimethylamino)but-2-enamide
CID 69317465

Frequently Asked Questions

What is the IUPAC name of (E)-4-(dimethylamino)-N-(6-methyl-3-pyridinyl)but-2-enamide?
The IUPAC name of (E)-4-(dimethylamino)-N-(6-methyl-3-pyridinyl)but-2-enamide (CID 153303846) is (E)-4-(dimethylamino)-N-(6-methyl-3-pyridinyl)but-2-enamide.
What is the SMILES notation for (E)-4-(dimethylamino)-N-(6-methyl-3-pyridinyl)but-2-enamide?
The canonical SMILES for (E)-4-(dimethylamino)-N-(6-methyl-3-pyridinyl)but-2-enamide is Cc1ccc(NC(=O)/C=C/CN(C)C)cn1.
What is the InChIKey of (E)-4-(dimethylamino)-N-(6-methyl-3-pyridinyl)but-2-enamide?
The InChIKey is JVOSZBHPLLYAJD-SNAWJCMRSA-N. The full InChI is InChI=1S/C12H17N3O/c1-10-6-7-11(9-13-10)14-12(16)5-4-8-15(2)3/h4-7,9H,8H2,1-3H3,(H,14,16)/b5-4+.
What are the key properties of (E)-4-(dimethylamino)-N-(6-methyl-3-pyridinyl)but-2-enamide?
(E)-4-(dimethylamino)-N-(6-methyl-3-pyridinyl)but-2-enamide has a molecular weight of 219.29 g/mol, XLogP of 1.45, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-(dimethylamino)-N-(6-methyl-3-pyridinyl)but-2-enamide is sourced from PubChem (CID 153303846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).