N-(2,3-dioxopiperidin-4-yl)-3-methyl-2-[(5-pyridin-4-yl-1,3-oxazol-2-yl)amino]butanamide

C18H21N5O4 — CID 138730234

IUPACN-(2,3-dioxopiperidin-4-yl)-3-methyl-2-[(5-pyridin-4-yl-1,3-oxazol-2-yl)amino]butanamide
SMILESCC(C)C(Nc1ncc(-c2ccncc2)o1)C(=O)NC1CCNC(=O)C1=O
InChIInChI=1S/C18H21N5O4/c1-10(2)14(16(25)22-12-5-8-20-17(26)15(12)24)23-18-21-9-13(27-18)11-3-6-19-7-4-11/h3-4,6-7,9-10,12,14H,5,8H2,1-2H3,(H,20,26)(H,21,23)(H,22,25)
InChIKeyDHBADORASNFKEU-UHFFFAOYSA-N
MW371.40 g/mol
LogP0.75
Rot. Bonds6

About N-(2,3-dioxopiperidin-4-yl)-3-methyl-2-[(5-pyridin-4-yl-1,3-oxazol-2-yl)amino]butanamide

N-(2,3-dioxopiperidin-4-yl)-3-methyl-2-[(5-pyridin-4-yl-1,3-oxazol-2-yl)amino]butanamide (PubChem CID 138730234) has the molecular formula C18H21N5O4 and a molecular weight of 371.40 g/mol. Its IUPAC name is N-(2,3-dioxopiperidin-4-yl)-3-methyl-2-[(5-pyridin-4-yl-1,3-oxazol-2-yl)amino]butanamide.

Molecular Properties

Compound NameN-(2,3-dioxopiperidin-4-yl)-3-methyl-2-[(5-pyridin-4-yl-1,3-oxazol-2-yl)amino]butanamide
PubChem CID138730234
Molecular FormulaC18H21N5O4
Molecular Weight371.40 g/mol
Exact Mass371.16
IUPAC NameN-(2,3-dioxopiperidin-4-yl)-3-methyl-2-[(5-pyridin-4-yl-1,3-oxazol-2-yl)amino]butanamide
SMILESCC(C)C(Nc1ncc(-c2ccncc2)o1)C(=O)NC1CCNC(=O)C1=O
InChIInChI=1S/C18H21N5O4/c1-10(2)14(16(25)22-12-5-8-20-17(26)15(12)24)23-18-21-9-13(27-18)11-3-6-19-7-4-11/h3-4,6-7,9-10,12,14H,5,8H2,1-2H3,(H,20,26)(H,21,23)(H,22,25)
InChIKeyDHBADORASNFKEU-UHFFFAOYSA-N
XLogP0.75
TPSA126.22 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.40
LogP ≤ 50.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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-[(5-pyridin-4-yl-1,3-oxazol-2-yl)amino]butanamide?
The IUPAC name of N-(2,3-dioxopiperidin-4-yl)-3-methyl-2-[(5-pyridin-4-yl-1,3-oxazol-2-yl)amino]butanamide (CID 138730234) is N-(2,3-dioxopiperidin-4-yl)-3-methyl-2-[(5-pyridin-4-yl-1,3-oxazol-2-yl)amino]butanamide.
What is the SMILES notation for N-(2,3-dioxopiperidin-4-yl)-3-methyl-2-[(5-pyridin-4-yl-1,3-oxazol-2-yl)amino]butanamide?
The canonical SMILES for N-(2,3-dioxopiperidin-4-yl)-3-methyl-2-[(5-pyridin-4-yl-1,3-oxazol-2-yl)amino]butanamide is CC(C)C(Nc1ncc(-c2ccncc2)o1)C(=O)NC1CCNC(=O)C1=O.
What is the InChIKey of N-(2,3-dioxopiperidin-4-yl)-3-methyl-2-[(5-pyridin-4-yl-1,3-oxazol-2-yl)amino]butanamide?
The InChIKey is DHBADORASNFKEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5O4/c1-10(2)14(16(25)22-12-5-8-20-17(26)15(12)24)23-18-21-9-13(27-18)11-3-6-19-7-4-11/h3-4,6-7,9-10,12,14H,5,8H2,1-2H3,(H,20,26)(H,21,23)(H,22,25).
What are the key properties of N-(2,3-dioxopiperidin-4-yl)-3-methyl-2-[(5-pyridin-4-yl-1,3-oxazol-2-yl)amino]butanamide?
N-(2,3-dioxopiperidin-4-yl)-3-methyl-2-[(5-pyridin-4-yl-1,3-oxazol-2-yl)amino]butanamide has a molecular weight of 371.40 g/mol, XLogP of 0.75, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dioxopiperidin-4-yl)-3-methyl-2-[(5-pyridin-4-yl-1,3-oxazol-2-yl)amino]butanamide is sourced from PubChem (CID 138730234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).