N-(2,3-dioxopiperidin-4-yl)-3-methyl-2-[(2-pyridin-4-ylacetyl)amino]butanamide

C17H22N4O4 — CID 138730757

IUPACN-(2,3-dioxopiperidin-4-yl)-3-methyl-2-[(2-pyridin-4-ylacetyl)amino]butanamide
SMILESCC(C)C(NC(=O)Cc1ccncc1)C(=O)NC1CCNC(=O)C1=O
InChIInChI=1S/C17H22N4O4/c1-10(2)14(21-13(22)9-11-3-6-18-7-4-11)16(24)20-12-5-8-19-17(25)15(12)23/h3-4,6-7,10,12,14H,5,8-9H2,1-2H3,(H,19,25)(H,20,24)(H,21,22)
InChIKeyREZQRLGFMRGQND-UHFFFAOYSA-N
MW346.39 g/mol
LogP-0.66
Rot. Bonds6

About N-(2,3-dioxopiperidin-4-yl)-3-methyl-2-[(2-pyridin-4-ylacetyl)amino]butanamide

N-(2,3-dioxopiperidin-4-yl)-3-methyl-2-[(2-pyridin-4-ylacetyl)amino]butanamide (PubChem CID 138730757) has the molecular formula C17H22N4O4 and a molecular weight of 346.39 g/mol. Its IUPAC name is N-(2,3-dioxopiperidin-4-yl)-3-methyl-2-[(2-pyridin-4-ylacetyl)amino]butanamide.

Molecular Properties

Compound NameN-(2,3-dioxopiperidin-4-yl)-3-methyl-2-[(2-pyridin-4-ylacetyl)amino]butanamide
PubChem CID138730757
Molecular FormulaC17H22N4O4
Molecular Weight346.39 g/mol
Exact Mass346.16
IUPAC NameN-(2,3-dioxopiperidin-4-yl)-3-methyl-2-[(2-pyridin-4-ylacetyl)amino]butanamide
SMILESCC(C)C(NC(=O)Cc1ccncc1)C(=O)NC1CCNC(=O)C1=O
InChIInChI=1S/C17H22N4O4/c1-10(2)14(21-13(22)9-11-3-6-18-7-4-11)16(24)20-12-5-8-19-17(25)15(12)23/h3-4,6-7,10,12,14H,5,8-9H2,1-2H3,(H,19,25)(H,20,24)(H,21,22)
InChIKeyREZQRLGFMRGQND-UHFFFAOYSA-N
XLogP-0.66
TPSA117.26 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.39
LogP ≤ 5-0.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2,3-dioxopiperidin-4-yl)-3-methyl-2-[(2-pyridin-4-ylacetyl)amino]butanamide?
The IUPAC name of N-(2,3-dioxopiperidin-4-yl)-3-methyl-2-[(2-pyridin-4-ylacetyl)amino]butanamide (CID 138730757) is N-(2,3-dioxopiperidin-4-yl)-3-methyl-2-[(2-pyridin-4-ylacetyl)amino]butanamide.
What is the SMILES notation for N-(2,3-dioxopiperidin-4-yl)-3-methyl-2-[(2-pyridin-4-ylacetyl)amino]butanamide?
The canonical SMILES for N-(2,3-dioxopiperidin-4-yl)-3-methyl-2-[(2-pyridin-4-ylacetyl)amino]butanamide is CC(C)C(NC(=O)Cc1ccncc1)C(=O)NC1CCNC(=O)C1=O.
What is the InChIKey of N-(2,3-dioxopiperidin-4-yl)-3-methyl-2-[(2-pyridin-4-ylacetyl)amino]butanamide?
The InChIKey is REZQRLGFMRGQND-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O4/c1-10(2)14(21-13(22)9-11-3-6-18-7-4-11)16(24)20-12-5-8-19-17(25)15(12)23/h3-4,6-7,10,12,14H,5,8-9H2,1-2H3,(H,19,25)(H,20,24)(H,21,22).
What are the key properties of N-(2,3-dioxopiperidin-4-yl)-3-methyl-2-[(2-pyridin-4-ylacetyl)amino]butanamide?
N-(2,3-dioxopiperidin-4-yl)-3-methyl-2-[(2-pyridin-4-ylacetyl)amino]butanamide has a molecular weight of 346.39 g/mol, XLogP of -0.66, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dioxopiperidin-4-yl)-3-methyl-2-[(2-pyridin-4-ylacetyl)amino]butanamide is sourced from PubChem (CID 138730757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).