N-[(1E,3Z)-1,4-diaminobuta-1,3-dienyl]-2-pyridin-2-ylacetamide

C11H14N4O — CID 144928583

IUPACN-[(1E,3Z)-1,4-diaminobuta-1,3-dienyl]-2-pyridin-2-ylacetamide
SMILESN/C=C\C=C(/N)NC(=O)Cc1ccccn1
InChIInChI=1S/C11H14N4O/c12-6-3-5-10(13)15-11(16)8-9-4-1-2-7-14-9/h1-7H,8,12-13H2,(H,15,16)/b6-3-,10-5+
InChIKeyZUKHNHLJEYELKY-VMDKLMDRSA-N
MW218.26 g/mol
LogP0.01
Rot. Bonds4

About N-[(1E,3Z)-1,4-diaminobuta-1,3-dienyl]-2-pyridin-2-ylacetamide

N-[(1E,3Z)-1,4-diaminobuta-1,3-dienyl]-2-pyridin-2-ylacetamide (PubChem CID 144928583) has the molecular formula C11H14N4O and a molecular weight of 218.26 g/mol. Its IUPAC name is N-[(1E,3Z)-1,4-diaminobuta-1,3-dienyl]-2-pyridin-2-ylacetamide.

Molecular Properties

Compound NameN-[(1E,3Z)-1,4-diaminobuta-1,3-dienyl]-2-pyridin-2-ylacetamide
PubChem CID144928583
Molecular FormulaC11H14N4O
Molecular Weight218.26 g/mol
Exact Mass218.12
IUPAC NameN-[(1E,3Z)-1,4-diaminobuta-1,3-dienyl]-2-pyridin-2-ylacetamide
SMILESN/C=C\C=C(/N)NC(=O)Cc1ccccn1
InChIInChI=1S/C11H14N4O/c12-6-3-5-10(13)15-11(16)8-9-4-1-2-7-14-9/h1-7H,8,12-13H2,(H,15,16)/b6-3-,10-5+
InChIKeyZUKHNHLJEYELKY-VMDKLMDRSA-N
XLogP0.01
TPSA94.03 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.26
LogP ≤ 50.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

molecular hydrogen;2-pyridin-2-ylacetamide
CID 145224814
N-phenyl-2-pyridin-2-ylacetamide chloride
CID 21234777
N-[5-[(5Z,7E)-5,8-diamino-8-[(2-pyridin-2-ylacetyl)amino]octa-5,7-dienyl]-1,3,4-thiadiazol-2-yl]-2-phenylacetamide
CID 144640994
N-(2-hydroxyphenyl)-2-pyridin-2-ylacetamide
CID 11746373
N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-2-pyridin-2-ylacetamide
CID 107845294
N'-(2-pyridin-2-ylacetyl)pentanehydrazide
CID 91075847
N-[(1E,3Z)-1,4-diamino-5-[3-[5-[(2-pyridin-2-ylacetyl)amino]-1,3,4-thiadiazol-2-yl]cyclopentyl]penta-1,3-dienyl]-2-phenylacetamide
CID 146202105
CID 131857449
CID 131857449
3-bromo-2-[(2-pyridin-2-ylacetyl)amino]benzoic acid
CID 63112491
1-(3-amino-2-pyridinyl)-2-pyridin-2-ylethanone
CID 116613912
ethyl 2-[(2-pyridin-2-ylacetyl)amino]acetate
CID 55026375
3-hydroxy-2-[(2-pyridin-2-ylacetyl)amino]butanoic acid
CID 43151207

Frequently Asked Questions

What is the IUPAC name of N-[(1E,3Z)-1,4-diaminobuta-1,3-dienyl]-2-pyridin-2-ylacetamide?
The IUPAC name of N-[(1E,3Z)-1,4-diaminobuta-1,3-dienyl]-2-pyridin-2-ylacetamide (CID 144928583) is N-[(1E,3Z)-1,4-diaminobuta-1,3-dienyl]-2-pyridin-2-ylacetamide.
What is the SMILES notation for N-[(1E,3Z)-1,4-diaminobuta-1,3-dienyl]-2-pyridin-2-ylacetamide?
The canonical SMILES for N-[(1E,3Z)-1,4-diaminobuta-1,3-dienyl]-2-pyridin-2-ylacetamide is N/C=C\C=C(/N)NC(=O)Cc1ccccn1.
What is the InChIKey of N-[(1E,3Z)-1,4-diaminobuta-1,3-dienyl]-2-pyridin-2-ylacetamide?
The InChIKey is ZUKHNHLJEYELKY-VMDKLMDRSA-N. The full InChI is InChI=1S/C11H14N4O/c12-6-3-5-10(13)15-11(16)8-9-4-1-2-7-14-9/h1-7H,8,12-13H2,(H,15,16)/b6-3-,10-5+.
What are the key properties of N-[(1E,3Z)-1,4-diaminobuta-1,3-dienyl]-2-pyridin-2-ylacetamide?
N-[(1E,3Z)-1,4-diaminobuta-1,3-dienyl]-2-pyridin-2-ylacetamide has a molecular weight of 218.26 g/mol, XLogP of 0.01, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1E,3Z)-1,4-diaminobuta-1,3-dienyl]-2-pyridin-2-ylacetamide is sourced from PubChem (CID 144928583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).