(6S)-N-[(2S)-4-(benzylamino)-3-hydroxy-4-oxo-1-pyridin-3-ylbutan-2-yl]-5-azaspiro[2.4]heptane-6-carboxamide

C23H28N4O3 — CID 162695761

IUPAC(6S)-N-[(2S)-4-(benzylamino)-3-hydroxy-4-oxo-1-pyridin-3-ylbutan-2-yl]-5-azaspiro[2.4]heptane-6-carboxamide
SMILESO=C(NCc1ccccc1)C(O)[C@H](Cc1cccnc1)NC(=O)[C@@H]1CC2(CC2)CN1
InChIInChI=1S/C23H28N4O3/c28-20(22(30)25-14-16-5-2-1-3-6-16)18(11-17-7-4-10-24-13-17)27-21(29)19-12-23(8-9-23)15-26-19/h1-7,10,13,18-20,26,28H,8-9,11-12,14-15H2,(H,25,30)(H,27,29)/t18-,19-,20?/m0/s1
InChIKeyHUDXTQVOGNEVGM-NFBCFJMWSA-N
MW408.50 g/mol
LogP0.93
Rot. Bonds8

About (6S)-N-[(2S)-4-(benzylamino)-3-hydroxy-4-oxo-1-pyridin-3-ylbutan-2-yl]-5-azaspiro[2.4]heptane-6-carboxamide

(6S)-N-[(2S)-4-(benzylamino)-3-hydroxy-4-oxo-1-pyridin-3-ylbutan-2-yl]-5-azaspiro[2.4]heptane-6-carboxamide (PubChem CID 162695761) has the molecular formula C23H28N4O3 and a molecular weight of 408.50 g/mol. Its IUPAC name is (6S)-N-[(2S)-4-(benzylamino)-3-hydroxy-4-oxo-1-pyridin-3-ylbutan-2-yl]-5-azaspiro[2.4]heptane-6-carboxamide.

Molecular Properties

Compound Name(6S)-N-[(2S)-4-(benzylamino)-3-hydroxy-4-oxo-1-pyridin-3-ylbutan-2-yl]-5-azaspiro[2.4]heptane-6-carboxamide
PubChem CID162695761
Molecular FormulaC23H28N4O3
Molecular Weight408.50 g/mol
Exact Mass408.22
IUPAC Name(6S)-N-[(2S)-4-(benzylamino)-3-hydroxy-4-oxo-1-pyridin-3-ylbutan-2-yl]-5-azaspiro[2.4]heptane-6-carboxamide
SMILESO=C(NCc1ccccc1)C(O)[C@H](Cc1cccnc1)NC(=O)[C@@H]1CC2(CC2)CN1
InChIInChI=1S/C23H28N4O3/c28-20(22(30)25-14-16-5-2-1-3-6-16)18(11-17-7-4-10-24-13-17)27-21(29)19-12-23(8-9-23)15-26-19/h1-7,10,13,18-20,26,28H,8-9,11-12,14-15H2,(H,25,30)(H,27,29)/t18-,19-,20?/m0/s1
InChIKeyHUDXTQVOGNEVGM-NFBCFJMWSA-N
XLogP0.93
TPSA103.35 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.50
LogP ≤ 50.93
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Analyze (6S)-N-[(2S)-4-(benzylamino)-3-hydroxy-4-oxo-1-pyridin-3-ylbutan-2-yl]-5-azaspiro[2.4]heptane-6-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 (6S)-N-[(2S)-4-(benzylamino)-3-hydroxy-4-oxo-1-pyridin-3-ylbutan-2-yl]-5-azaspiro[2.4]heptane-6-carboxamide?
The IUPAC name of (6S)-N-[(2S)-4-(benzylamino)-3-hydroxy-4-oxo-1-pyridin-3-ylbutan-2-yl]-5-azaspiro[2.4]heptane-6-carboxamide (CID 162695761) is (6S)-N-[(2S)-4-(benzylamino)-3-hydroxy-4-oxo-1-pyridin-3-ylbutan-2-yl]-5-azaspiro[2.4]heptane-6-carboxamide.
What is the SMILES notation for (6S)-N-[(2S)-4-(benzylamino)-3-hydroxy-4-oxo-1-pyridin-3-ylbutan-2-yl]-5-azaspiro[2.4]heptane-6-carboxamide?
The canonical SMILES for (6S)-N-[(2S)-4-(benzylamino)-3-hydroxy-4-oxo-1-pyridin-3-ylbutan-2-yl]-5-azaspiro[2.4]heptane-6-carboxamide is O=C(NCc1ccccc1)C(O)[C@H](Cc1cccnc1)NC(=O)[C@@H]1CC2(CC2)CN1.
What is the InChIKey of (6S)-N-[(2S)-4-(benzylamino)-3-hydroxy-4-oxo-1-pyridin-3-ylbutan-2-yl]-5-azaspiro[2.4]heptane-6-carboxamide?
The InChIKey is HUDXTQVOGNEVGM-NFBCFJMWSA-N. The full InChI is InChI=1S/C23H28N4O3/c28-20(22(30)25-14-16-5-2-1-3-6-16)18(11-17-7-4-10-24-13-17)27-21(29)19-12-23(8-9-23)15-26-19/h1-7,10,13,18-20,26,28H,8-9,11-12,14-15H2,(H,25,30)(H,27,29)/t18-,19-,20?/m0/s1.
What are the key properties of (6S)-N-[(2S)-4-(benzylamino)-3-hydroxy-4-oxo-1-pyridin-3-ylbutan-2-yl]-5-azaspiro[2.4]heptane-6-carboxamide?
(6S)-N-[(2S)-4-(benzylamino)-3-hydroxy-4-oxo-1-pyridin-3-ylbutan-2-yl]-5-azaspiro[2.4]heptane-6-carboxamide has a molecular weight of 408.50 g/mol, XLogP of 0.93, 8 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-N-[(2S)-4-(benzylamino)-3-hydroxy-4-oxo-1-pyridin-3-ylbutan-2-yl]-5-azaspiro[2.4]heptane-6-carboxamide is sourced from PubChem (CID 162695761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).