1-[(Z)-4-amino-3-hydrazinylbut-3-enoyl]-N-[(2-amino-3-pyridinyl)methyl]pyrrolidine-2-carboxamide

C15H23N7O2 — CID 165138740

IUPAC1-[(Z)-4-amino-3-hydrazinylbut-3-enoyl]-N-[(2-amino-3-pyridinyl)methyl]pyrrolidine-2-carboxamide
SMILESN/C=C(/CC(=O)N1CCCC1C(=O)NCc1cccnc1N)NN
InChIInChI=1S/C15H23N7O2/c16-8-11(21-18)7-13(23)22-6-2-4-12(22)15(24)20-9-10-3-1-5-19-14(10)17/h1,3,5,8,12,21H,2,4,6-7,9,16,18H2,(H2,17,19)(H,20,24)/b11-8-
InChIKeyAROJSQHFACZZBQ-FLIBITNWSA-N
MW333.40 g/mol
LogP-1.08
Rot. Bonds6

About 1-[(Z)-4-amino-3-hydrazinylbut-3-enoyl]-N-[(2-amino-3-pyridinyl)methyl]pyrrolidine-2-carboxamide

1-[(Z)-4-amino-3-hydrazinylbut-3-enoyl]-N-[(2-amino-3-pyridinyl)methyl]pyrrolidine-2-carboxamide (PubChem CID 165138740) has the molecular formula C15H23N7O2 and a molecular weight of 333.40 g/mol. Its IUPAC name is 1-[(Z)-4-amino-3-hydrazinylbut-3-enoyl]-N-[(2-amino-3-pyridinyl)methyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-[(Z)-4-amino-3-hydrazinylbut-3-enoyl]-N-[(2-amino-3-pyridinyl)methyl]pyrrolidine-2-carboxamide
PubChem CID165138740
Molecular FormulaC15H23N7O2
Molecular Weight333.40 g/mol
Exact Mass333.19
IUPAC Name1-[(Z)-4-amino-3-hydrazinylbut-3-enoyl]-N-[(2-amino-3-pyridinyl)methyl]pyrrolidine-2-carboxamide
SMILESN/C=C(/CC(=O)N1CCCC1C(=O)NCc1cccnc1N)NN
InChIInChI=1S/C15H23N7O2/c16-8-11(21-18)7-13(23)22-6-2-4-12(22)15(24)20-9-10-3-1-5-19-14(10)17/h1,3,5,8,12,21H,2,4,6-7,9,16,18H2,(H2,17,19)(H,20,24)/b11-8-
InChIKeyAROJSQHFACZZBQ-FLIBITNWSA-N
XLogP-1.08
TPSA152.39 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.40
LogP ≤ 5-1.08
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 1-[(Z)-4-amino-3-hydrazinylbut-3-enoyl]-N-[(2-amino-3-pyridinyl)methyl]pyrrolidine-2-carboxamide with MolForge

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Related Compounds

1-(2,2-dimethylpropanoyl)-N-[[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]pyrrolidine-2-carboxamide
CID 55614007
(2S)-1-acetyl-N-[[2-(2-fluorophenoxy)-3-pyridinyl]methyl]pyrrolidine-2-carboxamide
CID 42198821
1-(2-hydroxybenzoyl)-N-[(2-methoxy-3-pyridinyl)methyl]pyrrolidine-2-carboxamide
CID 75415776
1-(2,2-dimethylpropanoyl)-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]pyrrolidine-2-carboxamide
CID 55609235
methyl 1-[(2-amino-3-pyridinyl)methyl]pyrrolidine-2-carboxylate
CID 55075318
N-[[2-(aminomethyl)-5-chlorophenyl]methyl]-1-(pyrimidine-2-carbonyl)pyrrolidine-2-carboxamide
CID 140695741
(2S)-N-[(4-aminofuro[3,2-c]pyridin-2-yl)methyl]-1-[(2R)-2-amino-3-naphthalen-1-ylpropanoyl]pyrrolidine-2-carboxamide
CID 54423474
(2R)-N-[(2-amino-3-pyridinyl)methyl]-2-methyl-3-piperidin-1-ylpropanamide
CID 125442236
(2S)-N-benzyl-1-[2-(1,3-oxazol-2-yl)acetyl]pyrrolidine-2-carboxamide
CID 165139302
(2S,3R,8R)-N-[(2-amino-3-pyridinyl)methyl]-2'-oxospiro[1,2,5,6,7,8-hexahydropyrrolizine-3,3'-1H-indole]-2-carboxamide
CID 164699982
(2S)-1-[(3R)-3-amino-4-(2-fluorophenyl)butanoyl]-N-(pyridin-4-ylmethyl)pyrrolidine-2-carboxamide
CID 10178068
2-(2-amino-3-pyridinyl)acetohydrazide
CID 130616635

Frequently Asked Questions

What is the IUPAC name of 1-[(Z)-4-amino-3-hydrazinylbut-3-enoyl]-N-[(2-amino-3-pyridinyl)methyl]pyrrolidine-2-carboxamide?
The IUPAC name of 1-[(Z)-4-amino-3-hydrazinylbut-3-enoyl]-N-[(2-amino-3-pyridinyl)methyl]pyrrolidine-2-carboxamide (CID 165138740) is 1-[(Z)-4-amino-3-hydrazinylbut-3-enoyl]-N-[(2-amino-3-pyridinyl)methyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for 1-[(Z)-4-amino-3-hydrazinylbut-3-enoyl]-N-[(2-amino-3-pyridinyl)methyl]pyrrolidine-2-carboxamide?
The canonical SMILES for 1-[(Z)-4-amino-3-hydrazinylbut-3-enoyl]-N-[(2-amino-3-pyridinyl)methyl]pyrrolidine-2-carboxamide is N/C=C(/CC(=O)N1CCCC1C(=O)NCc1cccnc1N)NN.
What is the InChIKey of 1-[(Z)-4-amino-3-hydrazinylbut-3-enoyl]-N-[(2-amino-3-pyridinyl)methyl]pyrrolidine-2-carboxamide?
The InChIKey is AROJSQHFACZZBQ-FLIBITNWSA-N. The full InChI is InChI=1S/C15H23N7O2/c16-8-11(21-18)7-13(23)22-6-2-4-12(22)15(24)20-9-10-3-1-5-19-14(10)17/h1,3,5,8,12,21H,2,4,6-7,9,16,18H2,(H2,17,19)(H,20,24)/b11-8-.
What are the key properties of 1-[(Z)-4-amino-3-hydrazinylbut-3-enoyl]-N-[(2-amino-3-pyridinyl)methyl]pyrrolidine-2-carboxamide?
1-[(Z)-4-amino-3-hydrazinylbut-3-enoyl]-N-[(2-amino-3-pyridinyl)methyl]pyrrolidine-2-carboxamide has a molecular weight of 333.40 g/mol, XLogP of -1.08, 6 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(Z)-4-amino-3-hydrazinylbut-3-enoyl]-N-[(2-amino-3-pyridinyl)methyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 165138740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).