N-[3-(2,2-dimethyl-3-oxopyrrolidin-1-yl)-3-oxopropyl]-3-hydroxypyridine-2-carboxamide

C15H19N3O4 — CID 166298231

IUPACN-[3-(2,2-dimethyl-3-oxopyrrolidin-1-yl)-3-oxopropyl]-3-hydroxypyridine-2-carboxamide
SMILESCC1(C)C(=O)CCN1C(=O)CCNC(=O)c1ncccc1O
InChIInChI=1S/C15H19N3O4/c1-15(2)11(20)6-9-18(15)12(21)5-8-17-14(22)13-10(19)4-3-7-16-13/h3-4,7,19H,5-6,8-9H2,1-2H3,(H,17,22)
InChIKeySJJOLONZRTVWOD-UHFFFAOYSA-N
MW305.33 g/mol
LogP0.49
Rot. Bonds4

About N-[3-(2,2-dimethyl-3-oxopyrrolidin-1-yl)-3-oxopropyl]-3-hydroxypyridine-2-carboxamide

N-[3-(2,2-dimethyl-3-oxopyrrolidin-1-yl)-3-oxopropyl]-3-hydroxypyridine-2-carboxamide (PubChem CID 166298231) has the molecular formula C15H19N3O4 and a molecular weight of 305.33 g/mol. Its IUPAC name is N-[3-(2,2-dimethyl-3-oxopyrrolidin-1-yl)-3-oxopropyl]-3-hydroxypyridine-2-carboxamide.

Molecular Properties

Compound NameN-[3-(2,2-dimethyl-3-oxopyrrolidin-1-yl)-3-oxopropyl]-3-hydroxypyridine-2-carboxamide
PubChem CID166298231
Molecular FormulaC15H19N3O4
Molecular Weight305.33 g/mol
Exact Mass305.14
IUPAC NameN-[3-(2,2-dimethyl-3-oxopyrrolidin-1-yl)-3-oxopropyl]-3-hydroxypyridine-2-carboxamide
SMILESCC1(C)C(=O)CCN1C(=O)CCNC(=O)c1ncccc1O
InChIInChI=1S/C15H19N3O4/c1-15(2)11(20)6-9-18(15)12(21)5-8-17-14(22)13-10(19)4-3-7-16-13/h3-4,7,19H,5-6,8-9H2,1-2H3,(H,17,22)
InChIKeySJJOLONZRTVWOD-UHFFFAOYSA-N
XLogP0.49
TPSA99.60 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.33
LogP ≤ 50.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[3-(2,2-dimethyl-3-oxopyrrolidin-1-yl)-3-oxopropyl]-3-hydroxypyridine-2-carboxamide?
The IUPAC name of N-[3-(2,2-dimethyl-3-oxopyrrolidin-1-yl)-3-oxopropyl]-3-hydroxypyridine-2-carboxamide (CID 166298231) is N-[3-(2,2-dimethyl-3-oxopyrrolidin-1-yl)-3-oxopropyl]-3-hydroxypyridine-2-carboxamide.
What is the SMILES notation for N-[3-(2,2-dimethyl-3-oxopyrrolidin-1-yl)-3-oxopropyl]-3-hydroxypyridine-2-carboxamide?
The canonical SMILES for N-[3-(2,2-dimethyl-3-oxopyrrolidin-1-yl)-3-oxopropyl]-3-hydroxypyridine-2-carboxamide is CC1(C)C(=O)CCN1C(=O)CCNC(=O)c1ncccc1O.
What is the InChIKey of N-[3-(2,2-dimethyl-3-oxopyrrolidin-1-yl)-3-oxopropyl]-3-hydroxypyridine-2-carboxamide?
The InChIKey is SJJOLONZRTVWOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O4/c1-15(2)11(20)6-9-18(15)12(21)5-8-17-14(22)13-10(19)4-3-7-16-13/h3-4,7,19H,5-6,8-9H2,1-2H3,(H,17,22).
What are the key properties of N-[3-(2,2-dimethyl-3-oxopyrrolidin-1-yl)-3-oxopropyl]-3-hydroxypyridine-2-carboxamide?
N-[3-(2,2-dimethyl-3-oxopyrrolidin-1-yl)-3-oxopropyl]-3-hydroxypyridine-2-carboxamide has a molecular weight of 305.33 g/mol, XLogP of 0.49, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2,2-dimethyl-3-oxopyrrolidin-1-yl)-3-oxopropyl]-3-hydroxypyridine-2-carboxamide is sourced from PubChem (CID 166298231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).