(E)-N-[(2-methyl-4-pyridinyl)methyl]but-2-enamide

C11H14N2O — CID 131243847

IUPAC(E)-N-[(2-methyl-4-pyridinyl)methyl]but-2-enamide
SMILESC/C=C/C(=O)NCc1ccnc(C)c1
InChIInChI=1S/C11H14N2O/c1-3-4-11(14)13-8-10-5-6-12-9(2)7-10/h3-7H,8H2,1-2H3,(H,13,14)/b4-3+
InChIKeyLONZPSVCLOWTTC-ONEGZZNKSA-N
MW190.25 g/mol
LogP1.58
Rot. Bonds3

About (E)-N-[(2-methyl-4-pyridinyl)methyl]but-2-enamide

(E)-N-[(2-methyl-4-pyridinyl)methyl]but-2-enamide (PubChem CID 131243847) has the molecular formula C11H14N2O and a molecular weight of 190.25 g/mol. Its IUPAC name is (E)-N-[(2-methyl-4-pyridinyl)methyl]but-2-enamide.

Molecular Properties

Compound Name(E)-N-[(2-methyl-4-pyridinyl)methyl]but-2-enamide
PubChem CID131243847
Molecular FormulaC11H14N2O
Molecular Weight190.25 g/mol
Exact Mass190.11
IUPAC Name(E)-N-[(2-methyl-4-pyridinyl)methyl]but-2-enamide
SMILESC/C=C/C(=O)NCc1ccnc(C)c1
InChIInChI=1S/C11H14N2O/c1-3-4-11(14)13-8-10-5-6-12-9(2)7-10/h3-7H,8H2,1-2H3,(H,13,14)/b4-3+
InChIKeyLONZPSVCLOWTTC-ONEGZZNKSA-N
XLogP1.58
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.25
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2-methyl-4-pyridinyl)methylcarbamic acid
CID 89157251
N-[(2-methyl-4-pyridinyl)methyl]-1,1-dioxo-1,4-thiazinane-4-carboxamide
CID 122557299
N-[(3-ethoxyphenyl)methyl]but-2-enamide
CID 112728923
N-[(2-methyl-4-pyridinyl)methyl]-1,2-oxazole-3-carboxamide
CID 144967801
(E)-N-[(3-pyridin-2-yloxyphenyl)methyl]but-2-enamide
CID 90596212
(E)-N-(pyridin-2-ylmethyl)but-2-enamide
CID 110459675
(E)-4-[(2-methoxy-4-pyridinyl)methylamino]-4-oxobut-2-enoic acid
CID 55141133
(E)-N-[(4-tert-butylphenyl)methyl]but-2-enamide
CID 110470259
(E)-N-(1,3-benzodioxol-5-ylmethyl)but-2-enamide
CID 70328335
2-[(2-methyl-4-pyridinyl)methylamino]propan-1-ol
CID 106752869
(E)-N-[(4-methylsulfanylphenyl)methyl]but-2-enamide
CID 110470228
N-[(3-nitrophenyl)methyl]but-2-enamide
CID 78978970

Frequently Asked Questions

What is the IUPAC name of (E)-N-[(2-methyl-4-pyridinyl)methyl]but-2-enamide?
The IUPAC name of (E)-N-[(2-methyl-4-pyridinyl)methyl]but-2-enamide (CID 131243847) is (E)-N-[(2-methyl-4-pyridinyl)methyl]but-2-enamide.
What is the SMILES notation for (E)-N-[(2-methyl-4-pyridinyl)methyl]but-2-enamide?
The canonical SMILES for (E)-N-[(2-methyl-4-pyridinyl)methyl]but-2-enamide is C/C=C/C(=O)NCc1ccnc(C)c1.
What is the InChIKey of (E)-N-[(2-methyl-4-pyridinyl)methyl]but-2-enamide?
The InChIKey is LONZPSVCLOWTTC-ONEGZZNKSA-N. The full InChI is InChI=1S/C11H14N2O/c1-3-4-11(14)13-8-10-5-6-12-9(2)7-10/h3-7H,8H2,1-2H3,(H,13,14)/b4-3+.
What are the key properties of (E)-N-[(2-methyl-4-pyridinyl)methyl]but-2-enamide?
(E)-N-[(2-methyl-4-pyridinyl)methyl]but-2-enamide has a molecular weight of 190.25 g/mol, XLogP of 1.58, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[(2-methyl-4-pyridinyl)methyl]but-2-enamide is sourced from PubChem (CID 131243847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).