(E)-4-methyl-N-pyridin-4-ylpent-2-enamide

C11H14N2O — CID 21135733

IUPAC(E)-4-methyl-N-pyridin-4-ylpent-2-enamide
SMILESCC(C)/C=C/C(=O)Nc1ccncc1
InChIInChI=1S/C11H14N2O/c1-9(2)3-4-11(14)13-10-5-7-12-8-6-10/h3-9H,1-2H3,(H,12,13,14)/b4-3+
InChIKeyCDOLJEARPBVNSV-ONEGZZNKSA-N
MW190.25 g/mol
LogP2.23
Rot. Bonds3

About (E)-4-methyl-N-pyridin-4-ylpent-2-enamide

(E)-4-methyl-N-pyridin-4-ylpent-2-enamide (PubChem CID 21135733) has the molecular formula C11H14N2O and a molecular weight of 190.25 g/mol. Its IUPAC name is (E)-4-methyl-N-pyridin-4-ylpent-2-enamide.

Molecular Properties

Compound Name(E)-4-methyl-N-pyridin-4-ylpent-2-enamide
PubChem CID21135733
Molecular FormulaC11H14N2O
Molecular Weight190.25 g/mol
Exact Mass190.11
IUPAC Name(E)-4-methyl-N-pyridin-4-ylpent-2-enamide
SMILESCC(C)/C=C/C(=O)Nc1ccncc1
InChIInChI=1S/C11H14N2O/c1-9(2)3-4-11(14)13-10-5-7-12-8-6-10/h3-9H,1-2H3,(H,12,13,14)/b4-3+
InChIKeyCDOLJEARPBVNSV-ONEGZZNKSA-N
XLogP2.23
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 ≤ 52.23
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

(E)-4-methyl-N-(4-methylphenyl)pent-2-enamide
CID 70821630
(E)-N-(4-methoxyphenyl)-4-methylpent-2-enamide
CID 127125735
(E)-N-(3-fluoro-4-methylphenyl)-4-methylpent-2-enamide
CID 142913478
(E)-4-methyl-N-[3-(trifluoromethyl)phenyl]pent-2-enamide
CID 127125729
(E)-N-(4-propan-2-ylphenyl)-3-pyridin-4-ylprop-2-enamide
CID 34908465
(2S)-2-hydroxy-N-pyridin-4-ylpropanamide
CID 130695584
(E)-N-(4-tert-butylphenyl)-3-pyridin-4-ylprop-2-enamide
CID 39399792
(E)-4-oxo-4-[4-[1-oxo-1-(pyridin-4-ylamino)propan-2-yl]sulfanylanilino]but-2-enoic acid
CID 22785024
(Z)-3-(3,4-dimethoxyphenyl)-N-pyridin-4-ylprop-2-enamide
CID 2306389
(E)-N-pyridin-4-yl-3-(3,4,5-trimethoxyphenyl)prop-2-enamide
CID 807639
(2R)-2-amino-N-pyridin-4-ylpropanamide
CID 78972247
(2S)-2-(methylamino)-N-pyridin-4-ylpropanamide
CID 59361167

Frequently Asked Questions

What is the IUPAC name of (E)-4-methyl-N-pyridin-4-ylpent-2-enamide?
The IUPAC name of (E)-4-methyl-N-pyridin-4-ylpent-2-enamide (CID 21135733) is (E)-4-methyl-N-pyridin-4-ylpent-2-enamide.
What is the SMILES notation for (E)-4-methyl-N-pyridin-4-ylpent-2-enamide?
The canonical SMILES for (E)-4-methyl-N-pyridin-4-ylpent-2-enamide is CC(C)/C=C/C(=O)Nc1ccncc1.
What is the InChIKey of (E)-4-methyl-N-pyridin-4-ylpent-2-enamide?
The InChIKey is CDOLJEARPBVNSV-ONEGZZNKSA-N. The full InChI is InChI=1S/C11H14N2O/c1-9(2)3-4-11(14)13-10-5-7-12-8-6-10/h3-9H,1-2H3,(H,12,13,14)/b4-3+.
What are the key properties of (E)-4-methyl-N-pyridin-4-ylpent-2-enamide?
(E)-4-methyl-N-pyridin-4-ylpent-2-enamide has a molecular weight of 190.25 g/mol, XLogP of 2.23, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-methyl-N-pyridin-4-ylpent-2-enamide is sourced from PubChem (CID 21135733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).