(2E,4E)-N-methyl-N-(2-pyridin-4-ylethyl)hexa-2,4-dienamide

C14H18N2O — CID 110461207

IUPAC(2E,4E)-N-methyl-N-(2-pyridin-4-ylethyl)hexa-2,4-dienamide
SMILESC/C=C/C=C/C(=O)N(C)CCc1ccncc1
InChIInChI=1S/C14H18N2O/c1-3-4-5-6-14(17)16(2)12-9-13-7-10-15-11-8-13/h3-8,10-11H,9,12H2,1-2H3/b4-3+,6-5+
InChIKeyGLLKKJPWKJJUIP-VNKDHWASSA-N
MW230.31 g/mol
LogP2.21
Rot. Bonds5

About (2E,4E)-N-methyl-N-(2-pyridin-4-ylethyl)hexa-2,4-dienamide

(2E,4E)-N-methyl-N-(2-pyridin-4-ylethyl)hexa-2,4-dienamide (PubChem CID 110461207) has the molecular formula C14H18N2O and a molecular weight of 230.31 g/mol. Its IUPAC name is (2E,4E)-N-methyl-N-(2-pyridin-4-ylethyl)hexa-2,4-dienamide.

Molecular Properties

Compound Name(2E,4E)-N-methyl-N-(2-pyridin-4-ylethyl)hexa-2,4-dienamide
PubChem CID110461207
Molecular FormulaC14H18N2O
Molecular Weight230.31 g/mol
Exact Mass230.14
IUPAC Name(2E,4E)-N-methyl-N-(2-pyridin-4-ylethyl)hexa-2,4-dienamide
SMILESC/C=C/C=C/C(=O)N(C)CCc1ccncc1
InChIInChI=1S/C14H18N2O/c1-3-4-5-6-14(17)16(2)12-9-13-7-10-15-11-8-13/h3-8,10-11H,9,12H2,1-2H3/b4-3+,6-5+
InChIKeyGLLKKJPWKJJUIP-VNKDHWASSA-N
XLogP2.21
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-N-methyl-N-(2-pyridin-4-ylethyl)acetamide
CID 60913202
N-methyl-3-[methyl(2-pyridin-4-ylethyl)amino]-N-(2-pyridin-4-ylethyl)propanamide
CID 109025999
N-methyl-2-(methylamino)-N-(2-pyridin-4-ylethyl)acetamide
CID 60913880
N,2-dimethyl-2-(methylamino)-N-(2-pyridin-4-ylethyl)propanamide
CID 62847427
N'-methyl-N-prop-2-enyl-N'-(2-pyridin-4-ylethyl)oxamide
CID 108983935
(E)-4-[methyl(2-pyridin-3-ylethyl)amino]-4-oxobut-2-enoic acid
CID 115177328
N'-benzyl-N,N'-dimethyl-N-(2-pyridin-4-ylethyl)oxamide
CID 108984872
1-N-butyl-1-N,4-N-dimethyl-4-N-(2-pyridin-4-ylethyl)benzene-1,4-dicarboxamide
CID 109048088
N-methyl-N-(2-pyridin-4-ylethyl)pyrimidine-4-carboxamide
CID 110699109
2-[[methyl(2-pyridin-4-ylethyl)carbamoyl]amino]acetic acid
CID 60914415
N-methyl-2-[methylsulfonyl(propan-2-yl)amino]-N-(2-pyridin-4-ylethyl)acetamide
CID 113147692
(E)-4-[methyl-[2-(4-methylphenyl)ethyl]amino]-4-oxobut-2-enoic acid
CID 115177304

Frequently Asked Questions

What is the IUPAC name of (2E,4E)-N-methyl-N-(2-pyridin-4-ylethyl)hexa-2,4-dienamide?
The IUPAC name of (2E,4E)-N-methyl-N-(2-pyridin-4-ylethyl)hexa-2,4-dienamide (CID 110461207) is (2E,4E)-N-methyl-N-(2-pyridin-4-ylethyl)hexa-2,4-dienamide.
What is the SMILES notation for (2E,4E)-N-methyl-N-(2-pyridin-4-ylethyl)hexa-2,4-dienamide?
The canonical SMILES for (2E,4E)-N-methyl-N-(2-pyridin-4-ylethyl)hexa-2,4-dienamide is C/C=C/C=C/C(=O)N(C)CCc1ccncc1.
What is the InChIKey of (2E,4E)-N-methyl-N-(2-pyridin-4-ylethyl)hexa-2,4-dienamide?
The InChIKey is GLLKKJPWKJJUIP-VNKDHWASSA-N. The full InChI is InChI=1S/C14H18N2O/c1-3-4-5-6-14(17)16(2)12-9-13-7-10-15-11-8-13/h3-8,10-11H,9,12H2,1-2H3/b4-3+,6-5+.
What are the key properties of (2E,4E)-N-methyl-N-(2-pyridin-4-ylethyl)hexa-2,4-dienamide?
(2E,4E)-N-methyl-N-(2-pyridin-4-ylethyl)hexa-2,4-dienamide has a molecular weight of 230.31 g/mol, XLogP of 2.21, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E)-N-methyl-N-(2-pyridin-4-ylethyl)hexa-2,4-dienamide is sourced from PubChem (CID 110461207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).