4-[[1-(oxan-4-yl)-2-oxopyrrolidin-3-yl]amino]pyridine-2-carboxamide

C15H20N4O3 — CID 154752998

IUPAC4-[[1-(oxan-4-yl)-2-oxopyrrolidin-3-yl]amino]pyridine-2-carboxamide
SMILESNC(=O)c1cc(NC2CCN(C3CCOCC3)C2=O)ccn1
InChIInChI=1S/C15H20N4O3/c16-14(20)13-9-10(1-5-17-13)18-12-2-6-19(15(12)21)11-3-7-22-8-4-11/h1,5,9,11-12H,2-4,6-8H2,(H2,16,20)(H,17,18)
InChIKeySKOOJUHKRJPPDG-UHFFFAOYSA-N
MW304.35 g/mol
LogP0.37
Rot. Bonds4

About 4-[[1-(oxan-4-yl)-2-oxopyrrolidin-3-yl]amino]pyridine-2-carboxamide

4-[[1-(oxan-4-yl)-2-oxopyrrolidin-3-yl]amino]pyridine-2-carboxamide (PubChem CID 154752998) has the molecular formula C15H20N4O3 and a molecular weight of 304.35 g/mol. Its IUPAC name is 4-[[1-(oxan-4-yl)-2-oxopyrrolidin-3-yl]amino]pyridine-2-carboxamide.

Molecular Properties

Compound Name4-[[1-(oxan-4-yl)-2-oxopyrrolidin-3-yl]amino]pyridine-2-carboxamide
PubChem CID154752998
Molecular FormulaC15H20N4O3
Molecular Weight304.35 g/mol
Exact Mass304.15
IUPAC Name4-[[1-(oxan-4-yl)-2-oxopyrrolidin-3-yl]amino]pyridine-2-carboxamide
SMILESNC(=O)c1cc(NC2CCN(C3CCOCC3)C2=O)ccn1
InChIInChI=1S/C15H20N4O3/c16-14(20)13-9-10(1-5-17-13)18-12-2-6-19(15(12)21)11-3-7-22-8-4-11/h1,5,9,11-12H,2-4,6-8H2,(H2,16,20)(H,17,18)
InChIKeySKOOJUHKRJPPDG-UHFFFAOYSA-N
XLogP0.37
TPSA97.55 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 50.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[[1-(oxan-4-yl)-2-oxopyrrolidin-3-yl]amino]pyridine-2-carboxamide?
The IUPAC name of 4-[[1-(oxan-4-yl)-2-oxopyrrolidin-3-yl]amino]pyridine-2-carboxamide (CID 154752998) is 4-[[1-(oxan-4-yl)-2-oxopyrrolidin-3-yl]amino]pyridine-2-carboxamide.
What is the SMILES notation for 4-[[1-(oxan-4-yl)-2-oxopyrrolidin-3-yl]amino]pyridine-2-carboxamide?
The canonical SMILES for 4-[[1-(oxan-4-yl)-2-oxopyrrolidin-3-yl]amino]pyridine-2-carboxamide is NC(=O)c1cc(NC2CCN(C3CCOCC3)C2=O)ccn1.
What is the InChIKey of 4-[[1-(oxan-4-yl)-2-oxopyrrolidin-3-yl]amino]pyridine-2-carboxamide?
The InChIKey is SKOOJUHKRJPPDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O3/c16-14(20)13-9-10(1-5-17-13)18-12-2-6-19(15(12)21)11-3-7-22-8-4-11/h1,5,9,11-12H,2-4,6-8H2,(H2,16,20)(H,17,18).
What are the key properties of 4-[[1-(oxan-4-yl)-2-oxopyrrolidin-3-yl]amino]pyridine-2-carboxamide?
4-[[1-(oxan-4-yl)-2-oxopyrrolidin-3-yl]amino]pyridine-2-carboxamide has a molecular weight of 304.35 g/mol, XLogP of 0.37, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[1-(oxan-4-yl)-2-oxopyrrolidin-3-yl]amino]pyridine-2-carboxamide is sourced from PubChem (CID 154752998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).