4-[amino-[(Z)-2-aminoethenyl]amino]-N-[2-[3-(dimethylamino)azetidin-1-yl]-2-oxoethyl]benzamide

C16H24N6O2 — CID 145139086

IUPAC4-[amino-[(Z)-2-aminoethenyl]amino]-N-[2-[3-(dimethylamino)azetidin-1-yl]-2-oxoethyl]benzamide
SMILESCN(C)C1CN(C(=O)CNC(=O)c2ccc(N(N)/C=C\N)cc2)C1
InChIInChI=1S/C16H24N6O2/c1-20(2)14-10-21(11-14)15(23)9-19-16(24)12-3-5-13(6-4-12)22(18)8-7-17/h3-8,14H,9-11,17-18H2,1-2H3,(H,19,24)/b8-7-
InChIKeyLXCUOXGMIWRWON-FPLPWBNLSA-N
MW332.41 g/mol
LogP-0.70
Rot. Bonds6

About 4-[amino-[(Z)-2-aminoethenyl]amino]-N-[2-[3-(dimethylamino)azetidin-1-yl]-2-oxoethyl]benzamide

4-[amino-[(Z)-2-aminoethenyl]amino]-N-[2-[3-(dimethylamino)azetidin-1-yl]-2-oxoethyl]benzamide (PubChem CID 145139086) has the molecular formula C16H24N6O2 and a molecular weight of 332.41 g/mol. Its IUPAC name is 4-[amino-[(Z)-2-aminoethenyl]amino]-N-[2-[3-(dimethylamino)azetidin-1-yl]-2-oxoethyl]benzamide.

Molecular Properties

Compound Name4-[amino-[(Z)-2-aminoethenyl]amino]-N-[2-[3-(dimethylamino)azetidin-1-yl]-2-oxoethyl]benzamide
PubChem CID145139086
Molecular FormulaC16H24N6O2
Molecular Weight332.41 g/mol
Exact Mass332.20
IUPAC Name4-[amino-[(Z)-2-aminoethenyl]amino]-N-[2-[3-(dimethylamino)azetidin-1-yl]-2-oxoethyl]benzamide
SMILESCN(C)C1CN(C(=O)CNC(=O)c2ccc(N(N)/C=C\N)cc2)C1
InChIInChI=1S/C16H24N6O2/c1-20(2)14-10-21(11-14)15(23)9-19-16(24)12-3-5-13(6-4-12)22(18)8-7-17/h3-8,14H,9-11,17-18H2,1-2H3,(H,19,24)/b8-7-
InChIKeyLXCUOXGMIWRWON-FPLPWBNLSA-N
XLogP-0.70
TPSA107.93 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.41
LogP ≤ 5-0.70
H-Bond Donors ≤ 53
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 4-[amino-[(Z)-2-aminoethenyl]amino]-N-[2-[3-(dimethylamino)azetidin-1-yl]-2-oxoethyl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[amino-[(Z)-2-aminoethenyl]amino]-N-[2-(1,1-dioxo-1,4-thiazinan-4-yl)-2-oxoethyl]benzamide;ethane;propan-1-ol
CID 145139213
4-[amino-[(Z)-2-aminoethenyl]amino]-N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]benzamide;1-cyclopropyl-4-methylbenzene;propan-1-amine;propane
CID 145139063
4-[amino-[(Z)-2-aminoethenyl]amino]-N-(2-oxo-2-piperazin-1-ylethyl)benzamide;1-cyclopropyl-4-methylbenzene;ethane;propan-1-amine
CID 145139202
(3S,6R)-1-(2-benzamidoacetyl)-6-(dimethylamino)azepane-3-carboxylic acid
CID 170506955
1-cyclopropyl-4-fluorobenzene;ethane;ethyl 1-[2-[[4-[amino-[(Z)-2-aminoethenyl]amino]benzoyl]amino]acetyl]piperidine-4-carboxylate;propan-1-amine
CID 145139175
acetic acid;(3S,6R)-1-(2-benzamidoacetyl)-6-(dimethylamino)azepane-3-carboxylic acid
CID 171709955
4-[amino-[(Z)-2-aminoethenyl]amino]-N-[3-amino-1-(4-methylpiperazin-1-yl)-1-oxopropan-2-yl]benzamide
CID 145139195
4-chloro-N-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]benzamide
CID 4779688
4-[amino-[(Z)-2-aminoethenyl]amino]benzoic acid
CID 145139232
N-[2-(4-aminopiperidin-1-yl)-2-oxoethyl]-4-(trifluoromethyl)benzamide;hydrochloride
CID 119376008
[2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl] 2-[[4-(trifluoromethyl)benzoyl]amino]acetate
CID 7880537
4-[amino-[(Z)-2-aminoethenyl]amino]-N-[5-amino-1-(4-methylpiperazin-1-yl)-1-oxopentan-2-yl]benzamide;1-cyclopropyl-4-fluorobenzene
CID 145139018

Frequently Asked Questions

What is the IUPAC name of 4-[amino-[(Z)-2-aminoethenyl]amino]-N-[2-[3-(dimethylamino)azetidin-1-yl]-2-oxoethyl]benzamide?
The IUPAC name of 4-[amino-[(Z)-2-aminoethenyl]amino]-N-[2-[3-(dimethylamino)azetidin-1-yl]-2-oxoethyl]benzamide (CID 145139086) is 4-[amino-[(Z)-2-aminoethenyl]amino]-N-[2-[3-(dimethylamino)azetidin-1-yl]-2-oxoethyl]benzamide.
What is the SMILES notation for 4-[amino-[(Z)-2-aminoethenyl]amino]-N-[2-[3-(dimethylamino)azetidin-1-yl]-2-oxoethyl]benzamide?
The canonical SMILES for 4-[amino-[(Z)-2-aminoethenyl]amino]-N-[2-[3-(dimethylamino)azetidin-1-yl]-2-oxoethyl]benzamide is CN(C)C1CN(C(=O)CNC(=O)c2ccc(N(N)/C=C\N)cc2)C1.
What is the InChIKey of 4-[amino-[(Z)-2-aminoethenyl]amino]-N-[2-[3-(dimethylamino)azetidin-1-yl]-2-oxoethyl]benzamide?
The InChIKey is LXCUOXGMIWRWON-FPLPWBNLSA-N. The full InChI is InChI=1S/C16H24N6O2/c1-20(2)14-10-21(11-14)15(23)9-19-16(24)12-3-5-13(6-4-12)22(18)8-7-17/h3-8,14H,9-11,17-18H2,1-2H3,(H,19,24)/b8-7-.
What are the key properties of 4-[amino-[(Z)-2-aminoethenyl]amino]-N-[2-[3-(dimethylamino)azetidin-1-yl]-2-oxoethyl]benzamide?
4-[amino-[(Z)-2-aminoethenyl]amino]-N-[2-[3-(dimethylamino)azetidin-1-yl]-2-oxoethyl]benzamide has a molecular weight of 332.41 g/mol, XLogP of -0.70, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[amino-[(Z)-2-aminoethenyl]amino]-N-[2-[3-(dimethylamino)azetidin-1-yl]-2-oxoethyl]benzamide is sourced from PubChem (CID 145139086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).