N-[(6-imidazol-1-yl-3-pyridinyl)methyl]-2-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)acetamide

C20H19N5O3 — CID 136564089

IUPACN-[(6-imidazol-1-yl-3-pyridinyl)methyl]-2-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)acetamide
SMILESCC1Oc2ccccc2N(CC(=O)NCc2ccc(-n3ccnc3)nc2)C1=O
InChIInChI=1S/C20H19N5O3/c1-14-20(27)25(16-4-2-3-5-17(16)28-14)12-19(26)23-11-15-6-7-18(22-10-15)24-9-8-21-13-24/h2-10,13-14H,11-12H2,1H3,(H,23,26)
InChIKeyNYYZVQXHZBMEEA-UHFFFAOYSA-N
MW377.40 g/mol
LogP1.70
Rot. Bonds5

About N-[(6-imidazol-1-yl-3-pyridinyl)methyl]-2-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)acetamide

N-[(6-imidazol-1-yl-3-pyridinyl)methyl]-2-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)acetamide (PubChem CID 136564089) has the molecular formula C20H19N5O3 and a molecular weight of 377.40 g/mol. Its IUPAC name is N-[(6-imidazol-1-yl-3-pyridinyl)methyl]-2-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)acetamide.

Molecular Properties

Compound NameN-[(6-imidazol-1-yl-3-pyridinyl)methyl]-2-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)acetamide
PubChem CID136564089
Molecular FormulaC20H19N5O3
Molecular Weight377.40 g/mol
Exact Mass377.15
IUPAC NameN-[(6-imidazol-1-yl-3-pyridinyl)methyl]-2-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)acetamide
SMILESCC1Oc2ccccc2N(CC(=O)NCc2ccc(-n3ccnc3)nc2)C1=O
InChIInChI=1S/C20H19N5O3/c1-14-20(27)25(16-4-2-3-5-17(16)28-14)12-19(26)23-11-15-6-7-18(22-10-15)24-9-8-21-13-24/h2-10,13-14H,11-12H2,1H3,(H,23,26)
InChIKeyNYYZVQXHZBMEEA-UHFFFAOYSA-N
XLogP1.70
TPSA89.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.40
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[(6-imidazol-1-yl-3-pyridinyl)methyl]-2-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)acetamide 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-[(6-imidazol-1-yl-3-pyridinyl)methyl]-2-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)acetamide?
The IUPAC name of N-[(6-imidazol-1-yl-3-pyridinyl)methyl]-2-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)acetamide (CID 136564089) is N-[(6-imidazol-1-yl-3-pyridinyl)methyl]-2-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)acetamide.
What is the SMILES notation for N-[(6-imidazol-1-yl-3-pyridinyl)methyl]-2-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)acetamide?
The canonical SMILES for N-[(6-imidazol-1-yl-3-pyridinyl)methyl]-2-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)acetamide is CC1Oc2ccccc2N(CC(=O)NCc2ccc(-n3ccnc3)nc2)C1=O.
What is the InChIKey of N-[(6-imidazol-1-yl-3-pyridinyl)methyl]-2-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)acetamide?
The InChIKey is NYYZVQXHZBMEEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N5O3/c1-14-20(27)25(16-4-2-3-5-17(16)28-14)12-19(26)23-11-15-6-7-18(22-10-15)24-9-8-21-13-24/h2-10,13-14H,11-12H2,1H3,(H,23,26).
What are the key properties of N-[(6-imidazol-1-yl-3-pyridinyl)methyl]-2-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)acetamide?
N-[(6-imidazol-1-yl-3-pyridinyl)methyl]-2-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)acetamide has a molecular weight of 377.40 g/mol, XLogP of 1.70, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-imidazol-1-yl-3-pyridinyl)methyl]-2-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)acetamide is sourced from PubChem (CID 136564089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).