5-cyclopropyl-N-(4-methyl-1-propan-2-ylpyrrolidin-3-yl)-6-oxo-1H-pyridine-2-carboxamide

C17H25N3O2 — CID 130365315

IUPAC5-cyclopropyl-N-(4-methyl-1-propan-2-ylpyrrolidin-3-yl)-6-oxo-1H-pyridine-2-carboxamide
SMILESCC1CN(C(C)C)CC1NC(=O)c1ccc(C2CC2)c(=O)[nH]1
InChIInChI=1S/C17H25N3O2/c1-10(2)20-8-11(3)15(9-20)19-17(22)14-7-6-13(12-4-5-12)16(21)18-14/h6-7,10-12,15H,4-5,8-9H2,1-3H3,(H,18,21)(H,19,22)
InChIKeyYEALGLNIHOTBKZ-UHFFFAOYSA-N
MW303.41 g/mol
LogP1.71
Rot. Bonds4

About 5-cyclopropyl-N-(4-methyl-1-propan-2-ylpyrrolidin-3-yl)-6-oxo-1H-pyridine-2-carboxamide

5-cyclopropyl-N-(4-methyl-1-propan-2-ylpyrrolidin-3-yl)-6-oxo-1H-pyridine-2-carboxamide (PubChem CID 130365315) has the molecular formula C17H25N3O2 and a molecular weight of 303.41 g/mol. Its IUPAC name is 5-cyclopropyl-N-(4-methyl-1-propan-2-ylpyrrolidin-3-yl)-6-oxo-1H-pyridine-2-carboxamide.

Molecular Properties

Compound Name5-cyclopropyl-N-(4-methyl-1-propan-2-ylpyrrolidin-3-yl)-6-oxo-1H-pyridine-2-carboxamide
PubChem CID130365315
Molecular FormulaC17H25N3O2
Molecular Weight303.41 g/mol
Exact Mass303.19
IUPAC Name5-cyclopropyl-N-(4-methyl-1-propan-2-ylpyrrolidin-3-yl)-6-oxo-1H-pyridine-2-carboxamide
SMILESCC1CN(C(C)C)CC1NC(=O)c1ccc(C2CC2)c(=O)[nH]1
InChIInChI=1S/C17H25N3O2/c1-10(2)20-8-11(3)15(9-20)19-17(22)14-7-6-13(12-4-5-12)16(21)18-14/h6-7,10-12,15H,4-5,8-9H2,1-3H3,(H,18,21)(H,19,22)
InChIKeyYEALGLNIHOTBKZ-UHFFFAOYSA-N
XLogP1.71
TPSA65.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.41
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-N-(4-methyl-1-propan-2-ylpyrrolidin-3-yl)-6-oxo-1H-pyridine-2-carboxamide?
The IUPAC name of 5-cyclopropyl-N-(4-methyl-1-propan-2-ylpyrrolidin-3-yl)-6-oxo-1H-pyridine-2-carboxamide (CID 130365315) is 5-cyclopropyl-N-(4-methyl-1-propan-2-ylpyrrolidin-3-yl)-6-oxo-1H-pyridine-2-carboxamide.
What is the SMILES notation for 5-cyclopropyl-N-(4-methyl-1-propan-2-ylpyrrolidin-3-yl)-6-oxo-1H-pyridine-2-carboxamide?
The canonical SMILES for 5-cyclopropyl-N-(4-methyl-1-propan-2-ylpyrrolidin-3-yl)-6-oxo-1H-pyridine-2-carboxamide is CC1CN(C(C)C)CC1NC(=O)c1ccc(C2CC2)c(=O)[nH]1.
What is the InChIKey of 5-cyclopropyl-N-(4-methyl-1-propan-2-ylpyrrolidin-3-yl)-6-oxo-1H-pyridine-2-carboxamide?
The InChIKey is YEALGLNIHOTBKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O2/c1-10(2)20-8-11(3)15(9-20)19-17(22)14-7-6-13(12-4-5-12)16(21)18-14/h6-7,10-12,15H,4-5,8-9H2,1-3H3,(H,18,21)(H,19,22).
What are the key properties of 5-cyclopropyl-N-(4-methyl-1-propan-2-ylpyrrolidin-3-yl)-6-oxo-1H-pyridine-2-carboxamide?
5-cyclopropyl-N-(4-methyl-1-propan-2-ylpyrrolidin-3-yl)-6-oxo-1H-pyridine-2-carboxamide has a molecular weight of 303.41 g/mol, XLogP of 1.71, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-N-(4-methyl-1-propan-2-ylpyrrolidin-3-yl)-6-oxo-1H-pyridine-2-carboxamide is sourced from PubChem (CID 130365315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).