N-[(2S)-1-oxo-1-[[(2S)-1-oxo-3-[(3S)-2-oxopiperidin-3-yl]propan-2-yl]amino]-3-phenylpropan-2-yl]pyridine-4-carboxamide

C23H26N4O4 — CID 134130615

IUPACN-[(2S)-1-oxo-1-[[(2S)-1-oxo-3-[(3S)-2-oxopiperidin-3-yl]propan-2-yl]amino]-3-phenylpropan-2-yl]pyridine-4-carboxamide
SMILESO=C[C@H](C[C@@H]1CCCNC1=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccncc1
InChIInChI=1S/C23H26N4O4/c28-15-19(14-18-7-4-10-25-21(18)29)26-23(31)20(13-16-5-2-1-3-6-16)27-22(30)17-8-11-24-12-9-17/h1-3,5-6,8-9,11-12,15,18-20H,4,7,10,13-14H2,(H,25,29)(H,26,31)(H,27,30)/t18-,19-,20-/m0/s1
InChIKeyMWVDRXSZUDCNPV-UFYCRDLUSA-N
MW422.49 g/mol
LogP1.02
Rot. Bonds9

About N-[(2S)-1-oxo-1-[[(2S)-1-oxo-3-[(3S)-2-oxopiperidin-3-yl]propan-2-yl]amino]-3-phenylpropan-2-yl]pyridine-4-carboxamide

N-[(2S)-1-oxo-1-[[(2S)-1-oxo-3-[(3S)-2-oxopiperidin-3-yl]propan-2-yl]amino]-3-phenylpropan-2-yl]pyridine-4-carboxamide (PubChem CID 134130615) has the molecular formula C23H26N4O4 and a molecular weight of 422.49 g/mol. Its IUPAC name is N-[(2S)-1-oxo-1-[[(2S)-1-oxo-3-[(3S)-2-oxopiperidin-3-yl]propan-2-yl]amino]-3-phenylpropan-2-yl]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[(2S)-1-oxo-1-[[(2S)-1-oxo-3-[(3S)-2-oxopiperidin-3-yl]propan-2-yl]amino]-3-phenylpropan-2-yl]pyridine-4-carboxamide
PubChem CID134130615
Molecular FormulaC23H26N4O4
Molecular Weight422.49 g/mol
Exact Mass422.20
IUPAC NameN-[(2S)-1-oxo-1-[[(2S)-1-oxo-3-[(3S)-2-oxopiperidin-3-yl]propan-2-yl]amino]-3-phenylpropan-2-yl]pyridine-4-carboxamide
SMILESO=C[C@H](C[C@@H]1CCCNC1=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccncc1
InChIInChI=1S/C23H26N4O4/c28-15-19(14-18-7-4-10-25-21(18)29)26-23(31)20(13-16-5-2-1-3-6-16)27-22(30)17-8-11-24-12-9-17/h1-3,5-6,8-9,11-12,15,18-20H,4,7,10,13-14H2,(H,25,29)(H,26,31)(H,27,30)/t18-,19-,20-/m0/s1
InChIKeyMWVDRXSZUDCNPV-UFYCRDLUSA-N
XLogP1.02
TPSA117.26 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.49
LogP ≤ 51.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

Analyze N-[(2S)-1-oxo-1-[[(2S)-1-oxo-3-[(3S)-2-oxopiperidin-3-yl]propan-2-yl]amino]-3-phenylpropan-2-yl]pyridine-4-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-[(2S)-1-oxo-1-[[(2S)-1-oxo-3-[(3S)-2-oxopiperidin-3-yl]propan-2-yl]amino]-3-phenylpropan-2-yl]pyridine-4-carboxamide?
The IUPAC name of N-[(2S)-1-oxo-1-[[(2S)-1-oxo-3-[(3S)-2-oxopiperidin-3-yl]propan-2-yl]amino]-3-phenylpropan-2-yl]pyridine-4-carboxamide (CID 134130615) is N-[(2S)-1-oxo-1-[[(2S)-1-oxo-3-[(3S)-2-oxopiperidin-3-yl]propan-2-yl]amino]-3-phenylpropan-2-yl]pyridine-4-carboxamide.
What is the SMILES notation for N-[(2S)-1-oxo-1-[[(2S)-1-oxo-3-[(3S)-2-oxopiperidin-3-yl]propan-2-yl]amino]-3-phenylpropan-2-yl]pyridine-4-carboxamide?
The canonical SMILES for N-[(2S)-1-oxo-1-[[(2S)-1-oxo-3-[(3S)-2-oxopiperidin-3-yl]propan-2-yl]amino]-3-phenylpropan-2-yl]pyridine-4-carboxamide is O=C[C@H](C[C@@H]1CCCNC1=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccncc1.
What is the InChIKey of N-[(2S)-1-oxo-1-[[(2S)-1-oxo-3-[(3S)-2-oxopiperidin-3-yl]propan-2-yl]amino]-3-phenylpropan-2-yl]pyridine-4-carboxamide?
The InChIKey is MWVDRXSZUDCNPV-UFYCRDLUSA-N. The full InChI is InChI=1S/C23H26N4O4/c28-15-19(14-18-7-4-10-25-21(18)29)26-23(31)20(13-16-5-2-1-3-6-16)27-22(30)17-8-11-24-12-9-17/h1-3,5-6,8-9,11-12,15,18-20H,4,7,10,13-14H2,(H,25,29)(H,26,31)(H,27,30)/t18-,19-,20-/m0/s1.
What are the key properties of N-[(2S)-1-oxo-1-[[(2S)-1-oxo-3-[(3S)-2-oxopiperidin-3-yl]propan-2-yl]amino]-3-phenylpropan-2-yl]pyridine-4-carboxamide?
N-[(2S)-1-oxo-1-[[(2S)-1-oxo-3-[(3S)-2-oxopiperidin-3-yl]propan-2-yl]amino]-3-phenylpropan-2-yl]pyridine-4-carboxamide has a molecular weight of 422.49 g/mol, XLogP of 1.02, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-oxo-1-[[(2S)-1-oxo-3-[(3S)-2-oxopiperidin-3-yl]propan-2-yl]amino]-3-phenylpropan-2-yl]pyridine-4-carboxamide is sourced from PubChem (CID 134130615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).