5-amino-1-[(4Z)-5-amino-4-hydrazinylpenta-1,4-dien-2-yl]-N-benzylpyrrolidine-2-carboxamide

C17H26N6O — CID 165139638

IUPAC5-amino-1-[(4Z)-5-amino-4-hydrazinylpenta-1,4-dien-2-yl]-N-benzylpyrrolidine-2-carboxamide
SMILESC=C(C/C(=C/N)NN)N1C(N)CCC1C(=O)NCc1ccccc1
InChIInChI=1S/C17H26N6O/c1-12(9-14(10-18)22-20)23-15(7-8-16(23)19)17(24)21-11-13-5-3-2-4-6-13/h2-6,10,15-16,22H,1,7-9,11,18-20H2,(H,21,24)/b14-10-
InChIKeyHTHNXUFDFBUBLY-UVTDQMKNSA-N
MW330.44 g/mol
LogP0.22
Rot. Bonds7

About 5-amino-1-[(4Z)-5-amino-4-hydrazinylpenta-1,4-dien-2-yl]-N-benzylpyrrolidine-2-carboxamide

5-amino-1-[(4Z)-5-amino-4-hydrazinylpenta-1,4-dien-2-yl]-N-benzylpyrrolidine-2-carboxamide (PubChem CID 165139638) has the molecular formula C17H26N6O and a molecular weight of 330.44 g/mol. Its IUPAC name is 5-amino-1-[(4Z)-5-amino-4-hydrazinylpenta-1,4-dien-2-yl]-N-benzylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name5-amino-1-[(4Z)-5-amino-4-hydrazinylpenta-1,4-dien-2-yl]-N-benzylpyrrolidine-2-carboxamide
PubChem CID165139638
Molecular FormulaC17H26N6O
Molecular Weight330.44 g/mol
Exact Mass330.22
IUPAC Name5-amino-1-[(4Z)-5-amino-4-hydrazinylpenta-1,4-dien-2-yl]-N-benzylpyrrolidine-2-carboxamide
SMILESC=C(C/C(=C/N)NN)N1C(N)CCC1C(=O)NCc1ccccc1
InChIInChI=1S/C17H26N6O/c1-12(9-14(10-18)22-20)23-15(7-8-16(23)19)17(24)21-11-13-5-3-2-4-6-13/h2-6,10,15-16,22H,1,7-9,11,18-20H2,(H,21,24)/b14-10-
InChIKeyHTHNXUFDFBUBLY-UVTDQMKNSA-N
XLogP0.22
TPSA122.43 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.44
LogP ≤ 50.22
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 5-amino-1-[(4Z)-5-amino-4-hydrazinylpenta-1,4-dien-2-yl]-N-benzylpyrrolidine-2-carboxamide with MolForge

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Related Compounds

disodium;(1Z)-4-[2-[1-(benzylamino)ethenyl]pyrrolidin-1-yl]-2-hydrazinylpenta-1,4-dien-1-amine;2-methanidylaniline
CID 165140740
N,1-dibenzyl-5-ethylpyrrolidine-2-carboxamide
CID 77403412
1-(9-aminobicyclo[3.3.1]nonane-3-carbonyl)-N-benzylpiperidine-4-carboxamide
CID 120984003
N-benzylcyclobutanecarboxamide
CID 730128
N-benzylcyclopentanecarboxamide
CID 835634
N-benzyladamantane-2-carboxamide
CID 51191471
(3S)-N-benzyl-1-prop-2-enoylpyrrolidine-3-carboxamide
CID 170709592
(2S)-N-benzyl-1-(hydroxymethyl)-5-oxopyrrolidine-2-carboxamide
CID 15682110
(1Z)-4-[2-[1-[(4-fluorophenyl)methylamino]ethenyl]pyrrolidin-1-yl]-2-hydrazinylpenta-1,4-dien-1-amine;1-fluoro-2-propan-2-ylbenzene
CID 165140773
3-(2,3,3a,4,5,6,7,7a-octahydro-1H-indazole-7-carbonyl)-N-benzyl-1,3-thiazolidine-4-carboxamide
CID 74620192
ethyl (2S)-2-(benzylcarbamoyl)pyrrolidine-1-carboxylate
CID 110286155
(1R,4Z,8S)-8-amino-N-benzylcyclooct-4-ene-1-carboxamide
CID 101368590

Frequently Asked Questions

What is the IUPAC name of 5-amino-1-[(4Z)-5-amino-4-hydrazinylpenta-1,4-dien-2-yl]-N-benzylpyrrolidine-2-carboxamide?
The IUPAC name of 5-amino-1-[(4Z)-5-amino-4-hydrazinylpenta-1,4-dien-2-yl]-N-benzylpyrrolidine-2-carboxamide (CID 165139638) is 5-amino-1-[(4Z)-5-amino-4-hydrazinylpenta-1,4-dien-2-yl]-N-benzylpyrrolidine-2-carboxamide.
What is the SMILES notation for 5-amino-1-[(4Z)-5-amino-4-hydrazinylpenta-1,4-dien-2-yl]-N-benzylpyrrolidine-2-carboxamide?
The canonical SMILES for 5-amino-1-[(4Z)-5-amino-4-hydrazinylpenta-1,4-dien-2-yl]-N-benzylpyrrolidine-2-carboxamide is C=C(C/C(=C/N)NN)N1C(N)CCC1C(=O)NCc1ccccc1.
What is the InChIKey of 5-amino-1-[(4Z)-5-amino-4-hydrazinylpenta-1,4-dien-2-yl]-N-benzylpyrrolidine-2-carboxamide?
The InChIKey is HTHNXUFDFBUBLY-UVTDQMKNSA-N. The full InChI is InChI=1S/C17H26N6O/c1-12(9-14(10-18)22-20)23-15(7-8-16(23)19)17(24)21-11-13-5-3-2-4-6-13/h2-6,10,15-16,22H,1,7-9,11,18-20H2,(H,21,24)/b14-10-.
What are the key properties of 5-amino-1-[(4Z)-5-amino-4-hydrazinylpenta-1,4-dien-2-yl]-N-benzylpyrrolidine-2-carboxamide?
5-amino-1-[(4Z)-5-amino-4-hydrazinylpenta-1,4-dien-2-yl]-N-benzylpyrrolidine-2-carboxamide has a molecular weight of 330.44 g/mol, XLogP of 0.22, 7 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-[(4Z)-5-amino-4-hydrazinylpenta-1,4-dien-2-yl]-N-benzylpyrrolidine-2-carboxamide is sourced from PubChem (CID 165139638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).