N-[(2R,3S)-2,5-dimethyl-4-oxo-2,3-dihydropyrido[3,2-b][1,4]oxazepin-3-yl]-4-(2-fluorophenoxy)pyridine-2-carboxamide

C22H19FN4O4 — CID 130298918

IUPACN-[(2R,3S)-2,5-dimethyl-4-oxo-2,3-dihydropyrido[3,2-b][1,4]oxazepin-3-yl]-4-(2-fluorophenoxy)pyridine-2-carboxamide
SMILESC[C@H]1Oc2cccnc2N(C)C(=O)[C@H]1NC(=O)c1cc(Oc2ccccc2F)ccn1
InChIInChI=1S/C22H19FN4O4/c1-13-19(22(29)27(2)20-18(30-13)8-5-10-25-20)26-21(28)16-12-14(9-11-24-16)31-17-7-4-3-6-15(17)23/h3-13,19H,1-2H3,(H,26,28)/t13-,19+/m1/s1
InChIKeyOQGQBRFVLBAEKH-YJYMSZOUSA-N
MW422.42 g/mol
LogP2.95
Rot. Bonds4

About N-[(2R,3S)-2,5-dimethyl-4-oxo-2,3-dihydropyrido[3,2-b][1,4]oxazepin-3-yl]-4-(2-fluorophenoxy)pyridine-2-carboxamide

N-[(2R,3S)-2,5-dimethyl-4-oxo-2,3-dihydropyrido[3,2-b][1,4]oxazepin-3-yl]-4-(2-fluorophenoxy)pyridine-2-carboxamide (PubChem CID 130298918) has the molecular formula C22H19FN4O4 and a molecular weight of 422.42 g/mol. Its IUPAC name is N-[(2R,3S)-2,5-dimethyl-4-oxo-2,3-dihydropyrido[3,2-b][1,4]oxazepin-3-yl]-4-(2-fluorophenoxy)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[(2R,3S)-2,5-dimethyl-4-oxo-2,3-dihydropyrido[3,2-b][1,4]oxazepin-3-yl]-4-(2-fluorophenoxy)pyridine-2-carboxamide
PubChem CID130298918
Molecular FormulaC22H19FN4O4
Molecular Weight422.42 g/mol
Exact Mass422.14
IUPAC NameN-[(2R,3S)-2,5-dimethyl-4-oxo-2,3-dihydropyrido[3,2-b][1,4]oxazepin-3-yl]-4-(2-fluorophenoxy)pyridine-2-carboxamide
SMILESC[C@H]1Oc2cccnc2N(C)C(=O)[C@H]1NC(=O)c1cc(Oc2ccccc2F)ccn1
InChIInChI=1S/C22H19FN4O4/c1-13-19(22(29)27(2)20-18(30-13)8-5-10-25-20)26-21(28)16-12-14(9-11-24-16)31-17-7-4-3-6-15(17)23/h3-13,19H,1-2H3,(H,26,28)/t13-,19+/m1/s1
InChIKeyOQGQBRFVLBAEKH-YJYMSZOUSA-N
XLogP2.95
TPSA93.65 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.42
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[(2R,3S)-2,5-dimethyl-4-oxo-2,3-dihydropyrido[3,2-b][1,4]oxazepin-3-yl]-4-(2-fluorophenoxy)pyridine-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

Frequently Asked Questions

What is the IUPAC name of N-[(2R,3S)-2,5-dimethyl-4-oxo-2,3-dihydropyrido[3,2-b][1,4]oxazepin-3-yl]-4-(2-fluorophenoxy)pyridine-2-carboxamide?
The IUPAC name of N-[(2R,3S)-2,5-dimethyl-4-oxo-2,3-dihydropyrido[3,2-b][1,4]oxazepin-3-yl]-4-(2-fluorophenoxy)pyridine-2-carboxamide (CID 130298918) is N-[(2R,3S)-2,5-dimethyl-4-oxo-2,3-dihydropyrido[3,2-b][1,4]oxazepin-3-yl]-4-(2-fluorophenoxy)pyridine-2-carboxamide.
What is the SMILES notation for N-[(2R,3S)-2,5-dimethyl-4-oxo-2,3-dihydropyrido[3,2-b][1,4]oxazepin-3-yl]-4-(2-fluorophenoxy)pyridine-2-carboxamide?
The canonical SMILES for N-[(2R,3S)-2,5-dimethyl-4-oxo-2,3-dihydropyrido[3,2-b][1,4]oxazepin-3-yl]-4-(2-fluorophenoxy)pyridine-2-carboxamide is C[C@H]1Oc2cccnc2N(C)C(=O)[C@H]1NC(=O)c1cc(Oc2ccccc2F)ccn1.
What is the InChIKey of N-[(2R,3S)-2,5-dimethyl-4-oxo-2,3-dihydropyrido[3,2-b][1,4]oxazepin-3-yl]-4-(2-fluorophenoxy)pyridine-2-carboxamide?
The InChIKey is OQGQBRFVLBAEKH-YJYMSZOUSA-N. The full InChI is InChI=1S/C22H19FN4O4/c1-13-19(22(29)27(2)20-18(30-13)8-5-10-25-20)26-21(28)16-12-14(9-11-24-16)31-17-7-4-3-6-15(17)23/h3-13,19H,1-2H3,(H,26,28)/t13-,19+/m1/s1.
What are the key properties of N-[(2R,3S)-2,5-dimethyl-4-oxo-2,3-dihydropyrido[3,2-b][1,4]oxazepin-3-yl]-4-(2-fluorophenoxy)pyridine-2-carboxamide?
N-[(2R,3S)-2,5-dimethyl-4-oxo-2,3-dihydropyrido[3,2-b][1,4]oxazepin-3-yl]-4-(2-fluorophenoxy)pyridine-2-carboxamide has a molecular weight of 422.42 g/mol, XLogP of 2.95, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R,3S)-2,5-dimethyl-4-oxo-2,3-dihydropyrido[3,2-b][1,4]oxazepin-3-yl]-4-(2-fluorophenoxy)pyridine-2-carboxamide is sourced from PubChem (CID 130298918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).