5-[1-[[(2S)-2-ethyl-3-oxo-4H-1,4-benzoxazin-6-yl]methyl]piperidin-4-yl]-N-methylpyridine-2-carboxamide

C23H28N4O3 — CID 169189691

IUPAC5-[1-[[(2S)-2-ethyl-3-oxo-4H-1,4-benzoxazin-6-yl]methyl]piperidin-4-yl]-N-methylpyridine-2-carboxamide
SMILESCC[C@@H]1Oc2ccc(CN3CCC(c4ccc(C(=O)NC)nc4)CC3)cc2NC1=O
InChIInChI=1S/C23H28N4O3/c1-3-20-23(29)26-19-12-15(4-7-21(19)30-20)14-27-10-8-16(9-11-27)17-5-6-18(25-13-17)22(28)24-2/h4-7,12-13,16,20H,3,8-11,14H2,1-2H3,(H,24,28)(H,26,29)/t20-/m0/s1
InChIKeyGSVUFOHKBJDLKJ-FQEVSTJZSA-N
MW408.50 g/mol
LogP2.93
Rot. Bonds5

About 5-[1-[[(2S)-2-ethyl-3-oxo-4H-1,4-benzoxazin-6-yl]methyl]piperidin-4-yl]-N-methylpyridine-2-carboxamide

5-[1-[[(2S)-2-ethyl-3-oxo-4H-1,4-benzoxazin-6-yl]methyl]piperidin-4-yl]-N-methylpyridine-2-carboxamide (PubChem CID 169189691) has the molecular formula C23H28N4O3 and a molecular weight of 408.50 g/mol. Its IUPAC name is 5-[1-[[(2S)-2-ethyl-3-oxo-4H-1,4-benzoxazin-6-yl]methyl]piperidin-4-yl]-N-methylpyridine-2-carboxamide.

Molecular Properties

Compound Name5-[1-[[(2S)-2-ethyl-3-oxo-4H-1,4-benzoxazin-6-yl]methyl]piperidin-4-yl]-N-methylpyridine-2-carboxamide
PubChem CID169189691
Molecular FormulaC23H28N4O3
Molecular Weight408.50 g/mol
Exact Mass408.22
IUPAC Name5-[1-[[(2S)-2-ethyl-3-oxo-4H-1,4-benzoxazin-6-yl]methyl]piperidin-4-yl]-N-methylpyridine-2-carboxamide
SMILESCC[C@@H]1Oc2ccc(CN3CCC(c4ccc(C(=O)NC)nc4)CC3)cc2NC1=O
InChIInChI=1S/C23H28N4O3/c1-3-20-23(29)26-19-12-15(4-7-21(19)30-20)14-27-10-8-16(9-11-27)17-5-6-18(25-13-17)22(28)24-2/h4-7,12-13,16,20H,3,8-11,14H2,1-2H3,(H,24,28)(H,26,29)/t20-/m0/s1
InChIKeyGSVUFOHKBJDLKJ-FQEVSTJZSA-N
XLogP2.93
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.50
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 5-[1-[[(2S)-2-ethyl-3-oxo-4H-1,4-benzoxazin-6-yl]methyl]piperidin-4-yl]-N-methylpyridine-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 5-[1-[[(2S)-2-ethyl-3-oxo-4H-1,4-benzoxazin-6-yl]methyl]piperidin-4-yl]-N-methylpyridine-2-carboxamide?
The IUPAC name of 5-[1-[[(2S)-2-ethyl-3-oxo-4H-1,4-benzoxazin-6-yl]methyl]piperidin-4-yl]-N-methylpyridine-2-carboxamide (CID 169189691) is 5-[1-[[(2S)-2-ethyl-3-oxo-4H-1,4-benzoxazin-6-yl]methyl]piperidin-4-yl]-N-methylpyridine-2-carboxamide.
What is the SMILES notation for 5-[1-[[(2S)-2-ethyl-3-oxo-4H-1,4-benzoxazin-6-yl]methyl]piperidin-4-yl]-N-methylpyridine-2-carboxamide?
The canonical SMILES for 5-[1-[[(2S)-2-ethyl-3-oxo-4H-1,4-benzoxazin-6-yl]methyl]piperidin-4-yl]-N-methylpyridine-2-carboxamide is CC[C@@H]1Oc2ccc(CN3CCC(c4ccc(C(=O)NC)nc4)CC3)cc2NC1=O.
What is the InChIKey of 5-[1-[[(2S)-2-ethyl-3-oxo-4H-1,4-benzoxazin-6-yl]methyl]piperidin-4-yl]-N-methylpyridine-2-carboxamide?
The InChIKey is GSVUFOHKBJDLKJ-FQEVSTJZSA-N. The full InChI is InChI=1S/C23H28N4O3/c1-3-20-23(29)26-19-12-15(4-7-21(19)30-20)14-27-10-8-16(9-11-27)17-5-6-18(25-13-17)22(28)24-2/h4-7,12-13,16,20H,3,8-11,14H2,1-2H3,(H,24,28)(H,26,29)/t20-/m0/s1.
What are the key properties of 5-[1-[[(2S)-2-ethyl-3-oxo-4H-1,4-benzoxazin-6-yl]methyl]piperidin-4-yl]-N-methylpyridine-2-carboxamide?
5-[1-[[(2S)-2-ethyl-3-oxo-4H-1,4-benzoxazin-6-yl]methyl]piperidin-4-yl]-N-methylpyridine-2-carboxamide has a molecular weight of 408.50 g/mol, XLogP of 2.93, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-[[(2S)-2-ethyl-3-oxo-4H-1,4-benzoxazin-6-yl]methyl]piperidin-4-yl]-N-methylpyridine-2-carboxamide is sourced from PubChem (CID 169189691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).