3-amino-N-(1H-benzimidazol-2-ylmethyl)-6-methyl-5-[1-[(Z)-prop-1-enoxy]ethenyl]pyrazine-2-carboxamide

C19H20N6O2 — CID 145085864

IUPAC3-amino-N-(1H-benzimidazol-2-ylmethyl)-6-methyl-5-[1-[(Z)-prop-1-enoxy]ethenyl]pyrazine-2-carboxamide
SMILESC=C(O/C=C\C)c1nc(N)c(C(=O)NCc2nc3ccccc3[nH]2)nc1C
InChIInChI=1S/C19H20N6O2/c1-4-9-27-12(3)16-11(2)22-17(18(20)25-16)19(26)21-10-15-23-13-7-5-6-8-14(13)24-15/h4-9H,3,10H2,1-2H3,(H2,20,25)(H,21,26)(H,23,24)/b9-4-
InChIKeyVOZBKMFKKMNNII-WTKPLQERSA-N
MW364.41 g/mol
LogP2.69
Rot. Bonds6

About 3-amino-N-(1H-benzimidazol-2-ylmethyl)-6-methyl-5-[1-[(Z)-prop-1-enoxy]ethenyl]pyrazine-2-carboxamide

3-amino-N-(1H-benzimidazol-2-ylmethyl)-6-methyl-5-[1-[(Z)-prop-1-enoxy]ethenyl]pyrazine-2-carboxamide (PubChem CID 145085864) has the molecular formula C19H20N6O2 and a molecular weight of 364.41 g/mol. Its IUPAC name is 3-amino-N-(1H-benzimidazol-2-ylmethyl)-6-methyl-5-[1-[(Z)-prop-1-enoxy]ethenyl]pyrazine-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-(1H-benzimidazol-2-ylmethyl)-6-methyl-5-[1-[(Z)-prop-1-enoxy]ethenyl]pyrazine-2-carboxamide
PubChem CID145085864
Molecular FormulaC19H20N6O2
Molecular Weight364.41 g/mol
Exact Mass364.16
IUPAC Name3-amino-N-(1H-benzimidazol-2-ylmethyl)-6-methyl-5-[1-[(Z)-prop-1-enoxy]ethenyl]pyrazine-2-carboxamide
SMILESC=C(O/C=C\C)c1nc(N)c(C(=O)NCc2nc3ccccc3[nH]2)nc1C
InChIInChI=1S/C19H20N6O2/c1-4-9-27-12(3)16-11(2)22-17(18(20)25-16)19(26)21-10-15-23-13-7-5-6-8-14(13)24-15/h4-9H,3,10H2,1-2H3,(H2,20,25)(H,21,26)(H,23,24)/b9-4-
InChIKeyVOZBKMFKKMNNII-WTKPLQERSA-N
XLogP2.69
TPSA118.81 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.41
LogP ≤ 52.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

Analyze 3-amino-N-(1H-benzimidazol-2-ylmethyl)-6-methyl-5-[1-[(Z)-prop-1-enoxy]ethenyl]pyrazine-2-carboxamide 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

3-amino-N-[(2-ethoxy-6-fluorophenyl)methyl]-6-methyl-5-[1-[(Z)-prop-1-enoxy]ethenyl]pyrazine-2-carboxamide
CID 145085850
3-amino-6-methyl-5-[1-[(Z)-prop-1-enoxy]ethenyl]-N-(1-pyridin-2-ylethyl)pyrazine-2-carboxamide
CID 145085908
ethyl N-(1H-benzimidazol-2-ylmethyl)carbamate
CID 18590006
(E)-N-(1H-benzimidazol-2-ylmethyl)but-2-enamide
CID 71627908
N-(1H-benzimidazol-2-ylmethyl)-3,5-dimethyl-1H-pyrazole-4-carboxamide
CID 78991690
N-(1H-benzimidazol-2-ylmethyl)-3,5-dimethoxy-4-methylbenzamide
CID 51143940
N-(1H-benzimidazol-2-ylmethyl)thiophene-2-carboxamide
CID 751095
3-amino-6-methyl-N-[(5-methylpyrimidin-2-yl)methyl]-5-[(E)-1-[(Z)-prop-1-enoxy]but-1-enyl]pyrazine-2-carboxamide
CID 145085919
N-(1H-benzimidazol-2-ylmethyl)-2-sulfanylacetamide
CID 58957158
N-(1H-benzimidazol-2-ylmethyl)-2-methylfuran-3-carboxamide
CID 5297506
ethyl 4-(1H-benzimidazol-2-ylmethylamino)-4-oxobutanoate
CID 78910859
N-(1H-benzimidazol-2-ylmethyl)-5-methyl-1H-pyrazole-3-carboxamide
CID 47292714

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(1H-benzimidazol-2-ylmethyl)-6-methyl-5-[1-[(Z)-prop-1-enoxy]ethenyl]pyrazine-2-carboxamide?
The IUPAC name of 3-amino-N-(1H-benzimidazol-2-ylmethyl)-6-methyl-5-[1-[(Z)-prop-1-enoxy]ethenyl]pyrazine-2-carboxamide (CID 145085864) is 3-amino-N-(1H-benzimidazol-2-ylmethyl)-6-methyl-5-[1-[(Z)-prop-1-enoxy]ethenyl]pyrazine-2-carboxamide.
What is the SMILES notation for 3-amino-N-(1H-benzimidazol-2-ylmethyl)-6-methyl-5-[1-[(Z)-prop-1-enoxy]ethenyl]pyrazine-2-carboxamide?
The canonical SMILES for 3-amino-N-(1H-benzimidazol-2-ylmethyl)-6-methyl-5-[1-[(Z)-prop-1-enoxy]ethenyl]pyrazine-2-carboxamide is C=C(O/C=C\C)c1nc(N)c(C(=O)NCc2nc3ccccc3[nH]2)nc1C.
What is the InChIKey of 3-amino-N-(1H-benzimidazol-2-ylmethyl)-6-methyl-5-[1-[(Z)-prop-1-enoxy]ethenyl]pyrazine-2-carboxamide?
The InChIKey is VOZBKMFKKMNNII-WTKPLQERSA-N. The full InChI is InChI=1S/C19H20N6O2/c1-4-9-27-12(3)16-11(2)22-17(18(20)25-16)19(26)21-10-15-23-13-7-5-6-8-14(13)24-15/h4-9H,3,10H2,1-2H3,(H2,20,25)(H,21,26)(H,23,24)/b9-4-.
What are the key properties of 3-amino-N-(1H-benzimidazol-2-ylmethyl)-6-methyl-5-[1-[(Z)-prop-1-enoxy]ethenyl]pyrazine-2-carboxamide?
3-amino-N-(1H-benzimidazol-2-ylmethyl)-6-methyl-5-[1-[(Z)-prop-1-enoxy]ethenyl]pyrazine-2-carboxamide has a molecular weight of 364.41 g/mol, XLogP of 2.69, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(1H-benzimidazol-2-ylmethyl)-6-methyl-5-[1-[(Z)-prop-1-enoxy]ethenyl]pyrazine-2-carboxamide is sourced from PubChem (CID 145085864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).