N-[2-[2-[[(Z)-hex-3-enoyl]amino]ethoxy]ethyl]pyridine-3-carboxamide

C16H23N3O3 — CID 58173171

IUPACN-[2-[2-[[(Z)-hex-3-enoyl]amino]ethoxy]ethyl]pyridine-3-carboxamide
SMILESCC/C=C\CC(=O)NCCOCCNC(=O)c1cccnc1
InChIInChI=1S/C16H23N3O3/c1-2-3-4-7-15(20)18-9-11-22-12-10-19-16(21)14-6-5-8-17-13-14/h3-6,8,13H,2,7,9-12H2,1H3,(H,18,20)(H,19,21)/b4-3-
InChIKeyKFBUBVUJOJDIBV-ARJAWSKDSA-N
MW305.38 g/mol
LogP1.30
Rot. Bonds10

About N-[2-[2-[[(Z)-hex-3-enoyl]amino]ethoxy]ethyl]pyridine-3-carboxamide

N-[2-[2-[[(Z)-hex-3-enoyl]amino]ethoxy]ethyl]pyridine-3-carboxamide (PubChem CID 58173171) has the molecular formula C16H23N3O3 and a molecular weight of 305.38 g/mol. Its IUPAC name is N-[2-[2-[[(Z)-hex-3-enoyl]amino]ethoxy]ethyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-[2-[[(Z)-hex-3-enoyl]amino]ethoxy]ethyl]pyridine-3-carboxamide
PubChem CID58173171
Molecular FormulaC16H23N3O3
Molecular Weight305.38 g/mol
Exact Mass305.17
IUPAC NameN-[2-[2-[[(Z)-hex-3-enoyl]amino]ethoxy]ethyl]pyridine-3-carboxamide
SMILESCC/C=C\CC(=O)NCCOCCNC(=O)c1cccnc1
InChIInChI=1S/C16H23N3O3/c1-2-3-4-7-15(20)18-9-11-22-12-10-19-16(21)14-6-5-8-17-13-14/h3-6,8,13H,2,7,9-12H2,1H3,(H,18,20)(H,19,21)/b4-3-
InChIKeyKFBUBVUJOJDIBV-ARJAWSKDSA-N
XLogP1.30
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1,3-dihydroxypropan-2-yl 4-[[(Z)-hex-3-enoyl]amino]-2-(pyridine-3-carbonylamino)butanoate
CID 58173177
N-[4-(icosa-5,8,11,14,17-pentaenoylamino)butyl]pyridine-3-carboxamide
CID 123426220
N-[2-(hexadecanoylamino)ethyl]pyridine-3-carboxamide
CID 146558338
N-[(7Z,10Z,13Z,16Z,19Z,22Z)-4-oxopentacosa-7,10,13,16,19,22-hexaenyl]pyridine-3-carboxamide
CID 160893931
N-[3-[4-(2-methylphenoxy)butanoylamino]propyl]pyridine-3-carboxamide
CID 108926624
3-pyridin-3-yl-N-[2-[2-[2-[(3-pyridin-3-ylbenzoyl)amino]ethoxy]ethoxy]ethyl]benzamide
CID 164624876
methyl (2S)-2-[[(5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoyl]amino]-6-(pyridine-3-carbonylamino)hexanoate
CID 58173194
N-octadecylpyridine-3-carboxamide
CID 3547337
N-[2-[[2-(4-ethoxyphenoxy)acetyl]amino]ethyl]pyridine-3-carboxamide
CID 39577143
N-[2-[[(4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoyl]-methylamino]ethyl]pyridine-3-carboxamide
CID 72550726
2-(pyridine-3-carbonylamino)ethyl nitrate;hydrochloride
CID 3017561
ethane;methoxy-oxo-[2-(pyridine-3-carbonylamino)ethoxy]azanium
CID 155697782

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-[[(Z)-hex-3-enoyl]amino]ethoxy]ethyl]pyridine-3-carboxamide?
The IUPAC name of N-[2-[2-[[(Z)-hex-3-enoyl]amino]ethoxy]ethyl]pyridine-3-carboxamide (CID 58173171) is N-[2-[2-[[(Z)-hex-3-enoyl]amino]ethoxy]ethyl]pyridine-3-carboxamide.
What is the SMILES notation for N-[2-[2-[[(Z)-hex-3-enoyl]amino]ethoxy]ethyl]pyridine-3-carboxamide?
The canonical SMILES for N-[2-[2-[[(Z)-hex-3-enoyl]amino]ethoxy]ethyl]pyridine-3-carboxamide is CC/C=C\CC(=O)NCCOCCNC(=O)c1cccnc1.
What is the InChIKey of N-[2-[2-[[(Z)-hex-3-enoyl]amino]ethoxy]ethyl]pyridine-3-carboxamide?
The InChIKey is KFBUBVUJOJDIBV-ARJAWSKDSA-N. The full InChI is InChI=1S/C16H23N3O3/c1-2-3-4-7-15(20)18-9-11-22-12-10-19-16(21)14-6-5-8-17-13-14/h3-6,8,13H,2,7,9-12H2,1H3,(H,18,20)(H,19,21)/b4-3-.
What are the key properties of N-[2-[2-[[(Z)-hex-3-enoyl]amino]ethoxy]ethyl]pyridine-3-carboxamide?
N-[2-[2-[[(Z)-hex-3-enoyl]amino]ethoxy]ethyl]pyridine-3-carboxamide has a molecular weight of 305.38 g/mol, XLogP of 1.30, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-[[(Z)-hex-3-enoyl]amino]ethoxy]ethyl]pyridine-3-carboxamide is sourced from PubChem (CID 58173171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).