N-[(Z)-3-amino-4-hydrazinylbut-3-enyl]-2-pyridin-1-ium-1-ylacetamide

C11H18N5O+ — CID 156642027

IUPACN-[(Z)-3-amino-4-hydrazinylbut-3-enyl]-2-pyridin-1-ium-1-ylacetamide
SMILESNN/C=C(\N)CCNC(=O)C[n+]1ccccc1
InChIInChI=1S/C11H17N5O/c12-10(8-15-13)4-5-14-11(17)9-16-6-2-1-3-7-16/h1-3,6-8,15H,4-5,9,12-13H2/p+1/b10-8-
InChIKeyDHNOWXDRTYCDHK-NTMALXAHSA-O
MW236.30 g/mol
LogP-1.26
Rot. Bonds6

About N-[(Z)-3-amino-4-hydrazinylbut-3-enyl]-2-pyridin-1-ium-1-ylacetamide

N-[(Z)-3-amino-4-hydrazinylbut-3-enyl]-2-pyridin-1-ium-1-ylacetamide (PubChem CID 156642027) has the molecular formula C11H18N5O+ and a molecular weight of 236.30 g/mol. Its IUPAC name is N-[(Z)-3-amino-4-hydrazinylbut-3-enyl]-2-pyridin-1-ium-1-ylacetamide.

Molecular Properties

Compound NameN-[(Z)-3-amino-4-hydrazinylbut-3-enyl]-2-pyridin-1-ium-1-ylacetamide
PubChem CID156642027
Molecular FormulaC11H18N5O+
Molecular Weight236.30 g/mol
Exact Mass236.15
IUPAC NameN-[(Z)-3-amino-4-hydrazinylbut-3-enyl]-2-pyridin-1-ium-1-ylacetamide
SMILESNN/C=C(\N)CCNC(=O)C[n+]1ccccc1
InChIInChI=1S/C11H17N5O/c12-10(8-15-13)4-5-14-11(17)9-16-6-2-1-3-7-16/h1-3,6-8,15H,4-5,9,12-13H2/p+1/b10-8-
InChIKeyDHNOWXDRTYCDHK-NTMALXAHSA-O
XLogP-1.26
TPSA97.05 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.30
LogP ≤ 5-1.26
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

N-carbamoyl-2-pyridin-1-ium-1-ylacetamide
CID 87815999
ethane;2-pyridin-1-ium-1-ylacetohydrazide
CID 158150768
N-(2-phenylethyl)-2-pyridin-1-ium-1-ylacetamide
CID 13133471
N-octyl-2-pyridin-1-ium-1-ylacetamide chloride
CID 71712796
N-(2-heptadecylperoxyethyl)-2-pyridin-1-ium-1-ylacetamide chloride
CID 22186501
2-(4-phenylpyridin-1-ium-1-yl)-N-[3-[3-[[2-(4-phenylpyridin-1-ium-1-yl)acetyl]amino]propoxy]propyl]acetamide
CID 23386947
1-prop-2-enyl-3-[(2-pyridin-1-ium-1-ylacetyl)amino]thiourea chloride
CID 132648713
1-[2-(hexylamino)-2-oxoethyl]pyridin-1-ium-3-carboxylic acid
CID 58871716
N-[2-[(4-hydroxy-9,10-dioxoanthracen-1-yl)amino]ethyl]-2-pyridin-1-ium-1-ylacetamide
CID 169006741
N'-(2-pyridin-1-ium-1-ylacetyl)benzohydrazide
CID 3771317
2-(4-benzylpyridin-1-ium-1-yl)-N-(2-methoxyethyl)acetamide
CID 8859646
N-(2-hydroxyethyl)-2-[4-(4-phenylbenzoyl)pyridin-1-ium-1-yl]acetamide
CID 3623487

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-3-amino-4-hydrazinylbut-3-enyl]-2-pyridin-1-ium-1-ylacetamide?
The IUPAC name of N-[(Z)-3-amino-4-hydrazinylbut-3-enyl]-2-pyridin-1-ium-1-ylacetamide (CID 156642027) is N-[(Z)-3-amino-4-hydrazinylbut-3-enyl]-2-pyridin-1-ium-1-ylacetamide.
What is the SMILES notation for N-[(Z)-3-amino-4-hydrazinylbut-3-enyl]-2-pyridin-1-ium-1-ylacetamide?
The canonical SMILES for N-[(Z)-3-amino-4-hydrazinylbut-3-enyl]-2-pyridin-1-ium-1-ylacetamide is NN/C=C(\N)CCNC(=O)C[n+]1ccccc1.
What is the InChIKey of N-[(Z)-3-amino-4-hydrazinylbut-3-enyl]-2-pyridin-1-ium-1-ylacetamide?
The InChIKey is DHNOWXDRTYCDHK-NTMALXAHSA-O. The full InChI is InChI=1S/C11H17N5O/c12-10(8-15-13)4-5-14-11(17)9-16-6-2-1-3-7-16/h1-3,6-8,15H,4-5,9,12-13H2/p+1/b10-8-.
What are the key properties of N-[(Z)-3-amino-4-hydrazinylbut-3-enyl]-2-pyridin-1-ium-1-ylacetamide?
N-[(Z)-3-amino-4-hydrazinylbut-3-enyl]-2-pyridin-1-ium-1-ylacetamide has a molecular weight of 236.30 g/mol, XLogP of -1.26, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-3-amino-4-hydrazinylbut-3-enyl]-2-pyridin-1-ium-1-ylacetamide is sourced from PubChem (CID 156642027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).