N-[4-[6-amino-5-(6-methoxy-1H-benzimidazol-2-yl)-3-pyridinyl]phenyl]-2-morpholin-4-ylacetamide

C25H26N6O3 — CID 44528762

IUPACN-[4-[6-amino-5-(6-methoxy-1H-benzimidazol-2-yl)-3-pyridinyl]phenyl]-2-morpholin-4-ylacetamide
SMILESCOc1ccc2nc(-c3cc(-c4ccc(NC(=O)CN5CCOCC5)cc4)cnc3N)[nH]c2c1
InChIInChI=1S/C25H26N6O3/c1-33-19-6-7-21-22(13-19)30-25(29-21)20-12-17(14-27-24(20)26)16-2-4-18(5-3-16)28-23(32)15-31-8-10-34-11-9-31/h2-7,12-14H,8-11,15H2,1H3,(H2,26,27)(H,28,32)(H,29,30)
InChIKeyOOSCAMVXKQWKKK-UHFFFAOYSA-N
MW458.52 g/mol
LogP3.15
Rot. Bonds6

About N-[4-[6-amino-5-(6-methoxy-1H-benzimidazol-2-yl)-3-pyridinyl]phenyl]-2-morpholin-4-ylacetamide

N-[4-[6-amino-5-(6-methoxy-1H-benzimidazol-2-yl)-3-pyridinyl]phenyl]-2-morpholin-4-ylacetamide (PubChem CID 44528762) has the molecular formula C25H26N6O3 and a molecular weight of 458.52 g/mol. Its IUPAC name is N-[4-[6-amino-5-(6-methoxy-1H-benzimidazol-2-yl)-3-pyridinyl]phenyl]-2-morpholin-4-ylacetamide.

Molecular Properties

Compound NameN-[4-[6-amino-5-(6-methoxy-1H-benzimidazol-2-yl)-3-pyridinyl]phenyl]-2-morpholin-4-ylacetamide
PubChem CID44528762
Molecular FormulaC25H26N6O3
Molecular Weight458.52 g/mol
Exact Mass458.21
IUPAC NameN-[4-[6-amino-5-(6-methoxy-1H-benzimidazol-2-yl)-3-pyridinyl]phenyl]-2-morpholin-4-ylacetamide
SMILESCOc1ccc2nc(-c3cc(-c4ccc(NC(=O)CN5CCOCC5)cc4)cnc3N)[nH]c2c1
InChIInChI=1S/C25H26N6O3/c1-33-19-6-7-21-22(13-19)30-25(29-21)20-12-17(14-27-24(20)26)16-2-4-18(5-3-16)28-23(32)15-31-8-10-34-11-9-31/h2-7,12-14H,8-11,15H2,1H3,(H2,26,27)(H,28,32)(H,29,30)
InChIKeyOOSCAMVXKQWKKK-UHFFFAOYSA-N
XLogP3.15
TPSA118.39 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.52
LogP ≤ 53.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze N-[4-[6-amino-5-(6-methoxy-1H-benzimidazol-2-yl)-3-pyridinyl]phenyl]-2-morpholin-4-ylacetamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[4-[6-amino-5-(6-methoxy-1H-benzimidazol-2-yl)-3-pyridinyl]phenyl]-2-morpholin-4-ylacetamide?
The IUPAC name of N-[4-[6-amino-5-(6-methoxy-1H-benzimidazol-2-yl)-3-pyridinyl]phenyl]-2-morpholin-4-ylacetamide (CID 44528762) is N-[4-[6-amino-5-(6-methoxy-1H-benzimidazol-2-yl)-3-pyridinyl]phenyl]-2-morpholin-4-ylacetamide.
What is the SMILES notation for N-[4-[6-amino-5-(6-methoxy-1H-benzimidazol-2-yl)-3-pyridinyl]phenyl]-2-morpholin-4-ylacetamide?
The canonical SMILES for N-[4-[6-amino-5-(6-methoxy-1H-benzimidazol-2-yl)-3-pyridinyl]phenyl]-2-morpholin-4-ylacetamide is COc1ccc2nc(-c3cc(-c4ccc(NC(=O)CN5CCOCC5)cc4)cnc3N)[nH]c2c1.
What is the InChIKey of N-[4-[6-amino-5-(6-methoxy-1H-benzimidazol-2-yl)-3-pyridinyl]phenyl]-2-morpholin-4-ylacetamide?
The InChIKey is OOSCAMVXKQWKKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N6O3/c1-33-19-6-7-21-22(13-19)30-25(29-21)20-12-17(14-27-24(20)26)16-2-4-18(5-3-16)28-23(32)15-31-8-10-34-11-9-31/h2-7,12-14H,8-11,15H2,1H3,(H2,26,27)(H,28,32)(H,29,30).
What are the key properties of N-[4-[6-amino-5-(6-methoxy-1H-benzimidazol-2-yl)-3-pyridinyl]phenyl]-2-morpholin-4-ylacetamide?
N-[4-[6-amino-5-(6-methoxy-1H-benzimidazol-2-yl)-3-pyridinyl]phenyl]-2-morpholin-4-ylacetamide has a molecular weight of 458.52 g/mol, XLogP of 3.15, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[6-amino-5-(6-methoxy-1H-benzimidazol-2-yl)-3-pyridinyl]phenyl]-2-morpholin-4-ylacetamide is sourced from PubChem (CID 44528762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).