(2R)-N-methyl-4-[5-(1-methylpyrazol-4-yl)pyridine-3-carbonyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide

C20H19N5O3 — CID 97313413

About (2R)-N-methyl-4-[5-(1-methylpyrazol-4-yl)pyridine-3-carbonyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide

(2R)-N-methyl-4-[5-(1-methylpyrazol-4-yl)pyridine-3-carbonyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide (PubChem CID 97313413) has the molecular formula C20H19N5O3 and a molecular weight of 377.40 g/mol. Its IUPAC name is (2R)-N-methyl-4-[5-(1-methylpyrazol-4-yl)pyridine-3-carbonyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide.

Molecular Properties

• Compound Name: (2R)-N-methyl-4-[5-(1-methylpyrazol-4-yl)pyridine-3-carbonyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide
• PubChem CID: 97313413
• Molecular Formula: C20H19N5O3
• Molecular Weight: 377.40 g/mol
• Exact Mass: 377.15
• IUPAC Name: (2R)-N-methyl-4-[5-(1-methylpyrazol-4-yl)pyridine-3-carbonyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide
• SMILES: CNC(=O)[C@H]1CN(C(=O)c2cncc(-c3cnn(C)c3)c2)c2ccccc2O1
• InChI: InChI=1S/C20H19N5O3/c1-21-19(26)18-12-25(16-5-3-4-6-17(16)28-18)20(27)14-7-13(8-22-9-14)15-10-23-24(2)11-15/h3-11,18H,12H2,1-2H3,(H,21,26)/t18-/m1/s1
• InChIKey: NZRJKCMBCFTHIT-GOSISDBHSA-N
• XLogP: 1.64
• TPSA: 89.35 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 3
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	377.40
LogP ≤ 5	1.64
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of (2R)-N-methyl-4-[5-(1-methylpyrazol-4-yl)pyridine-3-carbonyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide?

The IUPAC name of (2R)-N-methyl-4-[5-(1-methylpyrazol-4-yl)pyridine-3-carbonyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide (CID 97313413) is (2R)-N-methyl-4-[5-(1-methylpyrazol-4-yl)pyridine-3-carbonyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide.

What is the SMILES notation for (2R)-N-methyl-4-[5-(1-methylpyrazol-4-yl)pyridine-3-carbonyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide?

The canonical SMILES for (2R)-N-methyl-4-[5-(1-methylpyrazol-4-yl)pyridine-3-carbonyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide is CNC(=O)[C@H]1CN(C(=O)c2cncc(-c3cnn(C)c3)c2)c2ccccc2O1.

What is the InChIKey of (2R)-N-methyl-4-[5-(1-methylpyrazol-4-yl)pyridine-3-carbonyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide?

The InChIKey is NZRJKCMBCFTHIT-GOSISDBHSA-N. The full InChI is InChI=1S/C20H19N5O3/c1-21-19(26)18-12-25(16-5-3-4-6-17(16)28-18)20(27)14-7-13(8-22-9-14)15-10-23-24(2)11-15/h3-11,18H,12H2,1-2H3,(H,21,26)/t18-/m1/s1.

What are the key properties of (2R)-N-methyl-4-[5-(1-methylpyrazol-4-yl)pyridine-3-carbonyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide?

(2R)-N-methyl-4-[5-(1-methylpyrazol-4-yl)pyridine-3-carbonyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide has a molecular weight of 377.40 g/mol, XLogP of 1.64, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-N-methyl-4-[5-(1-methylpyrazol-4-yl)pyridine-3-carbonyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide is sourced from PubChem (CID 97313413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).