ethyl 2-[[2-[4-(hydrazinylmethylideneamino)butanoylamino]acetyl]amino]-3-pyridin-3-ylpropanoate

C17H26N6O4 — CID 19063163

IUPACethyl 2-[[2-[4-(hydrazinylmethylideneamino)butanoylamino]acetyl]amino]-3-pyridin-3-ylpropanoate
SMILESCCOC(=O)C(Cc1cccnc1)NC(=O)CNC(=O)CCC/N=C/NN
InChIInChI=1S/C17H26N6O4/c1-2-27-17(26)14(9-13-5-3-7-19-10-13)23-16(25)11-21-15(24)6-4-8-20-12-22-18/h3,5,7,10,12,14H,2,4,6,8-9,11,18H2,1H3,(H,20,22)(H,21,24)(H,23,25)
InChIKeyVBINPUDNGPYLLS-UHFFFAOYSA-N
MW378.43 g/mol
LogP-0.94
Rot. Bonds12

About ethyl 2-[[2-[4-(hydrazinylmethylideneamino)butanoylamino]acetyl]amino]-3-pyridin-3-ylpropanoate

ethyl 2-[[2-[4-(hydrazinylmethylideneamino)butanoylamino]acetyl]amino]-3-pyridin-3-ylpropanoate (PubChem CID 19063163) has the molecular formula C17H26N6O4 and a molecular weight of 378.43 g/mol. Its IUPAC name is ethyl 2-[[2-[4-(hydrazinylmethylideneamino)butanoylamino]acetyl]amino]-3-pyridin-3-ylpropanoate.

Molecular Properties

Compound Nameethyl 2-[[2-[4-(hydrazinylmethylideneamino)butanoylamino]acetyl]amino]-3-pyridin-3-ylpropanoate
PubChem CID19063163
Molecular FormulaC17H26N6O4
Molecular Weight378.43 g/mol
Exact Mass378.20
IUPAC Nameethyl 2-[[2-[4-(hydrazinylmethylideneamino)butanoylamino]acetyl]amino]-3-pyridin-3-ylpropanoate
SMILESCCOC(=O)C(Cc1cccnc1)NC(=O)CNC(=O)CCC/N=C/NN
InChIInChI=1S/C17H26N6O4/c1-2-27-17(26)14(9-13-5-3-7-19-10-13)23-16(25)11-21-15(24)6-4-8-20-12-22-18/h3,5,7,10,12,14H,2,4,6,8-9,11,18H2,1H3,(H,20,22)(H,21,24)(H,23,25)
InChIKeyVBINPUDNGPYLLS-UHFFFAOYSA-N
XLogP-0.94
TPSA147.80 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds12
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.43
LogP ≤ 5-0.94
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze ethyl 2-[[2-[4-(hydrazinylmethylideneamino)butanoylamino]acetyl]amino]-3-pyridin-3-ylpropanoate with MolForge

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Related Compounds

ethyl 2-[[2-[[4-(hydrazinylmethylideneamino)-3-phenylbutanoyl]amino]acetyl]amino]-3-pyridin-3-ylpropanoate
CID 19063158
2-[[2-[[3-(hydrazinylmethylideneamino)benzoyl]amino]acetyl]amino]-3-pyridin-3-ylpropanoic acid
CID 22608375
ethyl 2-fluoro-3-pyridin-3-ylpropanoate
CID 55265604
diethyl 2-(1-pyridin-3-ylpropan-2-yl)propanedioate
CID 67382967
(2S)-2-[[2-(methylamino)acetyl]amino]-3-pyridin-3-ylpropanoic acid
CID 175888348
ethyl 2-[(2-pyridin-3-ylacetyl)amino]propanoate
CID 62690912
ethyl 2-(3-pyridin-3-ylpropanoylamino)propanoate
CID 61344596
ethyl 4-oxo-4-(2-pyridin-3-ylethylamino)butanoate
CID 60730072
ethyl 3-oxo-3-(pyridin-3-ylmethylamino)propanoate
CID 110465393
4-chloro-N-(1-pyridin-3-ylpropan-2-yl)butanamide
CID 82110099
3-[[2-[[4-(hydrazinylmethylideneamino)-3-phenylbutanoyl]amino]acetyl]amino]-3-pyridin-3-ylpropanoic acid
CID 19063161
3-(methylamino)-4-pyridin-3-ylbutan-2-one
CID 22974289

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[2-[4-(hydrazinylmethylideneamino)butanoylamino]acetyl]amino]-3-pyridin-3-ylpropanoate?
The IUPAC name of ethyl 2-[[2-[4-(hydrazinylmethylideneamino)butanoylamino]acetyl]amino]-3-pyridin-3-ylpropanoate (CID 19063163) is ethyl 2-[[2-[4-(hydrazinylmethylideneamino)butanoylamino]acetyl]amino]-3-pyridin-3-ylpropanoate.
What is the SMILES notation for ethyl 2-[[2-[4-(hydrazinylmethylideneamino)butanoylamino]acetyl]amino]-3-pyridin-3-ylpropanoate?
The canonical SMILES for ethyl 2-[[2-[4-(hydrazinylmethylideneamino)butanoylamino]acetyl]amino]-3-pyridin-3-ylpropanoate is CCOC(=O)C(Cc1cccnc1)NC(=O)CNC(=O)CCC/N=C/NN.
What is the InChIKey of ethyl 2-[[2-[4-(hydrazinylmethylideneamino)butanoylamino]acetyl]amino]-3-pyridin-3-ylpropanoate?
The InChIKey is VBINPUDNGPYLLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N6O4/c1-2-27-17(26)14(9-13-5-3-7-19-10-13)23-16(25)11-21-15(24)6-4-8-20-12-22-18/h3,5,7,10,12,14H,2,4,6,8-9,11,18H2,1H3,(H,20,22)(H,21,24)(H,23,25).
What are the key properties of ethyl 2-[[2-[4-(hydrazinylmethylideneamino)butanoylamino]acetyl]amino]-3-pyridin-3-ylpropanoate?
ethyl 2-[[2-[4-(hydrazinylmethylideneamino)butanoylamino]acetyl]amino]-3-pyridin-3-ylpropanoate has a molecular weight of 378.43 g/mol, XLogP of -0.94, 12 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[2-[4-(hydrazinylmethylideneamino)butanoylamino]acetyl]amino]-3-pyridin-3-ylpropanoate is sourced from PubChem (CID 19063163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).