(Z,2E)-2-[6-[(2-acetamido-4-pyridinyl)oxy]-1-methylbenzimidazol-2-yl]imino-4-amino-4-cyclopropyl-N-methylbut-3-enamide

C23H25N7O3 — CID 157042132

IUPAC(Z,2E)-2-[6-[(2-acetamido-4-pyridinyl)oxy]-1-methylbenzimidazol-2-yl]imino-4-amino-4-cyclopropyl-N-methylbut-3-enamide
SMILESCNC(=O)C(/C=C(\N)C1CC1)=N/c1nc2ccc(Oc3ccnc(NC(C)=O)c3)cc2n1C
InChIInChI=1S/C23H25N7O3/c1-13(31)27-21-11-16(8-9-26-21)33-15-6-7-18-20(10-15)30(3)23(28-18)29-19(22(32)25-2)12-17(24)14-4-5-14/h6-12,14H,4-5,24H2,1-3H3,(H,25,32)(H,26,27,31)/b17-12-,29-19+
InChIKeyPGANNRNMVJILHG-LCSLSMOHSA-N
MW447.50 g/mol
LogP2.79
Rot. Bonds7

About (Z,2E)-2-[6-[(2-acetamido-4-pyridinyl)oxy]-1-methylbenzimidazol-2-yl]imino-4-amino-4-cyclopropyl-N-methylbut-3-enamide

(Z,2E)-2-[6-[(2-acetamido-4-pyridinyl)oxy]-1-methylbenzimidazol-2-yl]imino-4-amino-4-cyclopropyl-N-methylbut-3-enamide (PubChem CID 157042132) has the molecular formula C23H25N7O3 and a molecular weight of 447.50 g/mol. Its IUPAC name is (Z,2E)-2-[6-[(2-acetamido-4-pyridinyl)oxy]-1-methylbenzimidazol-2-yl]imino-4-amino-4-cyclopropyl-N-methylbut-3-enamide.

Molecular Properties

Compound Name(Z,2E)-2-[6-[(2-acetamido-4-pyridinyl)oxy]-1-methylbenzimidazol-2-yl]imino-4-amino-4-cyclopropyl-N-methylbut-3-enamide
PubChem CID157042132
Molecular FormulaC23H25N7O3
Molecular Weight447.50 g/mol
Exact Mass447.20
IUPAC Name(Z,2E)-2-[6-[(2-acetamido-4-pyridinyl)oxy]-1-methylbenzimidazol-2-yl]imino-4-amino-4-cyclopropyl-N-methylbut-3-enamide
SMILESCNC(=O)C(/C=C(\N)C1CC1)=N/c1nc2ccc(Oc3ccnc(NC(C)=O)c3)cc2n1C
InChIInChI=1S/C23H25N7O3/c1-13(31)27-21-11-16(8-9-26-21)33-15-6-7-18-20(10-15)30(3)23(28-18)29-19(22(32)25-2)12-17(24)14-4-5-14/h6-12,14H,4-5,24H2,1-3H3,(H,25,32)(H,26,27,31)/b17-12-,29-19+
InChIKeyPGANNRNMVJILHG-LCSLSMOHSA-N
XLogP2.79
TPSA136.52 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.50
LogP ≤ 52.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze (Z,2E)-2-[6-[(2-acetamido-4-pyridinyl)oxy]-1-methylbenzimidazol-2-yl]imino-4-amino-4-cyclopropyl-N-methylbut-3-enamide 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

N-[4-[2-[[6-(2-hydroxyethylamino)-2-pyridinyl]amino]-3-methylbenzimidazol-5-yl]oxy-2-pyridinyl]acetamide
CID 166834017
N-[4-[2-[[1-(cyclohexylmethyl)-5-(trifluoromethyl)pyrazol-3-yl]amino]-3-methylbenzimidazol-5-yl]oxy-2-pyridinyl]acetamide
CID 157042111
N-[4-[2-(4-chloro-3-propan-2-ylanilino)-3-methylbenzimidazol-5-yl]oxy-2-pyridinyl]-1-propan-2-ylpiperidine-4-carboxamide
CID 69034357
N-[4-[4-(methylamino)phenoxy]-2-pyridinyl]acetamide
CID 138528462
N-[4-[3-methyl-2-[[1,1,2-trimethyl-3-oxo-7-(trifluoromethyl)isoindol-5-yl]amino]benzimidazol-5-yl]oxy-2-pyridinyl]acetamide
CID 157041526
N-[4-[2-[[5-(azetidin-1-yl)-2-oxo-1-propan-2-yl-3-pyridinyl]amino]-3-methylbenzimidazol-5-yl]oxy-2-pyridinyl]acetamide
CID 157041917
N-[2-[[5-[(2-acetamido-4-pyridinyl)oxy]-2-pyridinyl]amino]-2-oxoethyl]cyclopropanecarboxamide
CID 90426519
N-[4-[2-[(2-hydroxy-1-propan-2-yl-5-pyrazol-1-yl-2H-pyridin-3-yl)amino]-3-methylbenzimidazol-5-yl]oxy-2-pyridinyl]acetamide
CID 166833658
N-[4-[2-[[5-cyclopropyl-2-oxo-1-[(2-phenylmethoxycyclopentyl)methyl]-3-pyridinyl]amino]-3-methylbenzimidazol-5-yl]oxy-2-pyridinyl]acetamide
CID 157042156
N-[4-(4-amino-3-chlorophenoxy)-2-pyridinyl]-1-methylpiperidine-4-carboxamide
CID 89363606
N-[4-[3-fluoro-4-(methylaminomethylamino)phenoxy]-2-pyridinyl]cyclopropanecarboxamide
CID 134409049
N-[4-[2-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)anilino]-3-methylbenzimidazol-5-yl]oxy-2-pyridinyl]-1-methylpiperidine-4-carboxamide
CID 148623081

Frequently Asked Questions

What is the IUPAC name of (Z,2E)-2-[6-[(2-acetamido-4-pyridinyl)oxy]-1-methylbenzimidazol-2-yl]imino-4-amino-4-cyclopropyl-N-methylbut-3-enamide?
The IUPAC name of (Z,2E)-2-[6-[(2-acetamido-4-pyridinyl)oxy]-1-methylbenzimidazol-2-yl]imino-4-amino-4-cyclopropyl-N-methylbut-3-enamide (CID 157042132) is (Z,2E)-2-[6-[(2-acetamido-4-pyridinyl)oxy]-1-methylbenzimidazol-2-yl]imino-4-amino-4-cyclopropyl-N-methylbut-3-enamide.
What is the SMILES notation for (Z,2E)-2-[6-[(2-acetamido-4-pyridinyl)oxy]-1-methylbenzimidazol-2-yl]imino-4-amino-4-cyclopropyl-N-methylbut-3-enamide?
The canonical SMILES for (Z,2E)-2-[6-[(2-acetamido-4-pyridinyl)oxy]-1-methylbenzimidazol-2-yl]imino-4-amino-4-cyclopropyl-N-methylbut-3-enamide is CNC(=O)C(/C=C(\N)C1CC1)=N/c1nc2ccc(Oc3ccnc(NC(C)=O)c3)cc2n1C.
What is the InChIKey of (Z,2E)-2-[6-[(2-acetamido-4-pyridinyl)oxy]-1-methylbenzimidazol-2-yl]imino-4-amino-4-cyclopropyl-N-methylbut-3-enamide?
The InChIKey is PGANNRNMVJILHG-LCSLSMOHSA-N. The full InChI is InChI=1S/C23H25N7O3/c1-13(31)27-21-11-16(8-9-26-21)33-15-6-7-18-20(10-15)30(3)23(28-18)29-19(22(32)25-2)12-17(24)14-4-5-14/h6-12,14H,4-5,24H2,1-3H3,(H,25,32)(H,26,27,31)/b17-12-,29-19+.
What are the key properties of (Z,2E)-2-[6-[(2-acetamido-4-pyridinyl)oxy]-1-methylbenzimidazol-2-yl]imino-4-amino-4-cyclopropyl-N-methylbut-3-enamide?
(Z,2E)-2-[6-[(2-acetamido-4-pyridinyl)oxy]-1-methylbenzimidazol-2-yl]imino-4-amino-4-cyclopropyl-N-methylbut-3-enamide has a molecular weight of 447.50 g/mol, XLogP of 2.79, 7 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (Z,2E)-2-[6-[(2-acetamido-4-pyridinyl)oxy]-1-methylbenzimidazol-2-yl]imino-4-amino-4-cyclopropyl-N-methylbut-3-enamide is sourced from PubChem (CID 157042132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).