(Z)-2-amino-3-[amino-[2-fluoro-4-(6-formamidopyridazin-3-yl)butyl]amino]-N-methylprop-2-enamide

C13H20FN7O2 — CID 146527284

IUPAC(Z)-2-amino-3-[amino-[2-fluoro-4-(6-formamidopyridazin-3-yl)butyl]amino]-N-methylprop-2-enamide
SMILESCNC(=O)/C(N)=C/N(N)CC(F)CCc1ccc(NC=O)nn1
InChIInChI=1S/C13H20FN7O2/c1-17-13(23)11(15)7-21(16)6-9(14)2-3-10-4-5-12(18-8-22)20-19-10/h4-5,7-9H,2-3,6,15-16H2,1H3,(H,17,23)(H,18,20,22)/b11-7-
InChIKeyYHEWNUUIMUZFHB-XFFZJAGNSA-N
MW325.35 g/mol
LogP-0.96
Rot. Bonds9

About (Z)-2-amino-3-[amino-[2-fluoro-4-(6-formamidopyridazin-3-yl)butyl]amino]-N-methylprop-2-enamide

(Z)-2-amino-3-[amino-[2-fluoro-4-(6-formamidopyridazin-3-yl)butyl]amino]-N-methylprop-2-enamide (PubChem CID 146527284) has the molecular formula C13H20FN7O2 and a molecular weight of 325.35 g/mol. Its IUPAC name is (Z)-2-amino-3-[amino-[2-fluoro-4-(6-formamidopyridazin-3-yl)butyl]amino]-N-methylprop-2-enamide.

Molecular Properties

Compound Name(Z)-2-amino-3-[amino-[2-fluoro-4-(6-formamidopyridazin-3-yl)butyl]amino]-N-methylprop-2-enamide
PubChem CID146527284
Molecular FormulaC13H20FN7O2
Molecular Weight325.35 g/mol
Exact Mass325.17
IUPAC Name(Z)-2-amino-3-[amino-[2-fluoro-4-(6-formamidopyridazin-3-yl)butyl]amino]-N-methylprop-2-enamide
SMILESCNC(=O)/C(N)=C/N(N)CC(F)CCc1ccc(NC=O)nn1
InChIInChI=1S/C13H20FN7O2/c1-17-13(23)11(15)7-21(16)6-9(14)2-3-10-4-5-12(18-8-22)20-19-10/h4-5,7-9H,2-3,6,15-16H2,1H3,(H,17,23)(H,18,20,22)/b11-7-
InChIKeyYHEWNUUIMUZFHB-XFFZJAGNSA-N
XLogP-0.96
TPSA139.26 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.35
LogP ≤ 5-0.96
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(Z)-2-amino-3-[amino-[2-fluoro-4-[6-[[2-[4-(1,1,1-trifluoropropan-2-yloxy)-2-pyridinyl]acetyl]amino]pyridazin-3-yl]butyl]amino]-N-methylprop-2-enamide
CID 146527150
(Z)-2-amino-3-[amino-[4-[6-[[2-[4-[2-fluoro-3-(2-fluoropropan-2-yloxy)phenyl]-2-pyridinyl]acetyl]amino]pyridazin-3-yl]butyl]amino]-N-methylprop-2-enamide
CID 146527834
(Z)-2-amino-3-[amino-[2-fluoro-4-[5-[[2-[3-(trifluoromethoxy)phenyl]acetyl]amino]-1,3,4-thiadiazol-2-yl]butyl]amino]-N-(pyridin-2-ylmethyl)prop-2-enamide
CID 146527553
1-[2-fluoro-4-[6-[(2-phenylacetyl)amino]pyridazin-3-yl]butyl]-N-methyltriazole-4-carboxamide
CID 118640594
1-[4-[6-[[2-[5-(3,3-difluorocyclobutyl)oxy-3-pyridinyl]-3-oxopropyl]amino]pyridazin-3-yl]-2-fluorobutyl]-N-methyltriazole-4-carboxamide
CID 154982337
5-[4-[amino-[(Z)-2-amino-3-oxo-3-[[4-(trifluoromethyl)-2-pyridinyl]methylamino]prop-1-enyl]amino]butyl]-N-methyl-1,3,4-thiadiazole-2-carboxamide
CID 146527352
1-[(2R)-4-[6-[[2-[4-(cyclopropylmethyl)-2-pyridinyl]acetyl]amino]pyridazin-3-yl]-2-fluorobutyl]-N-methyltriazole-4-carboxamide
CID 118653243
1-[4-[amino-[(Z)-2-amino-3-[[5-(1,1-difluoroethoxy)-2-fluorophenyl]methylamino]-3-oxoprop-1-enyl]amino]-3-fluorobutyl]-N-[[6-(trifluoromethyl)-2-pyridinyl]methyl]triazole-4-carboxamide
CID 162616679
1-[4-[6-[[2-(4-cyclobutyloxy-2-pyridinyl)acetyl]amino]pyridazin-3-yl]-2-fluorobutyl]-N-methyltriazole-4-carboxamide
CID 118626796
1-[(2S)-2-fluoro-4-[6-[[2-[4-(2,2,2-trifluoroethyl)-2-pyridinyl]acetyl]amino]pyridazin-3-yl]butyl]-N-methyltriazole-4-carboxamide
CID 162701159
1-[4-[amino-[(Z)-2-amino-3-oxo-3-[[4-(trifluoromethyl)-2-pyridinyl]methylamino]prop-1-enyl]amino]-3-fluorobutyl]-N-[(3-hydroxyphenyl)methyl]triazole-4-carboxamide
CID 144992847
1-[4-[amino-[(E)-3-[4-(trifluoromethyl)-2-pyridinyl]prop-1-enyl]amino]-3-fluorobutyl]-N-methyltriazole-4-carboxamide
CID 146527789

Frequently Asked Questions

What is the IUPAC name of (Z)-2-amino-3-[amino-[2-fluoro-4-(6-formamidopyridazin-3-yl)butyl]amino]-N-methylprop-2-enamide?
The IUPAC name of (Z)-2-amino-3-[amino-[2-fluoro-4-(6-formamidopyridazin-3-yl)butyl]amino]-N-methylprop-2-enamide (CID 146527284) is (Z)-2-amino-3-[amino-[2-fluoro-4-(6-formamidopyridazin-3-yl)butyl]amino]-N-methylprop-2-enamide.
What is the SMILES notation for (Z)-2-amino-3-[amino-[2-fluoro-4-(6-formamidopyridazin-3-yl)butyl]amino]-N-methylprop-2-enamide?
The canonical SMILES for (Z)-2-amino-3-[amino-[2-fluoro-4-(6-formamidopyridazin-3-yl)butyl]amino]-N-methylprop-2-enamide is CNC(=O)/C(N)=C/N(N)CC(F)CCc1ccc(NC=O)nn1.
What is the InChIKey of (Z)-2-amino-3-[amino-[2-fluoro-4-(6-formamidopyridazin-3-yl)butyl]amino]-N-methylprop-2-enamide?
The InChIKey is YHEWNUUIMUZFHB-XFFZJAGNSA-N. The full InChI is InChI=1S/C13H20FN7O2/c1-17-13(23)11(15)7-21(16)6-9(14)2-3-10-4-5-12(18-8-22)20-19-10/h4-5,7-9H,2-3,6,15-16H2,1H3,(H,17,23)(H,18,20,22)/b11-7-.
What are the key properties of (Z)-2-amino-3-[amino-[2-fluoro-4-(6-formamidopyridazin-3-yl)butyl]amino]-N-methylprop-2-enamide?
(Z)-2-amino-3-[amino-[2-fluoro-4-(6-formamidopyridazin-3-yl)butyl]amino]-N-methylprop-2-enamide has a molecular weight of 325.35 g/mol, XLogP of -0.96, 9 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-amino-3-[amino-[2-fluoro-4-(6-formamidopyridazin-3-yl)butyl]amino]-N-methylprop-2-enamide is sourced from PubChem (CID 146527284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).