N-[(1-cyclopentyl-5-oxopyrrolidin-3-yl)methyl]-2-oxo-6-propan-2-yl-1H-pyridine-3-carboxamide

C19H27N3O3 — CID 131906921

IUPACN-[(1-cyclopentyl-5-oxopyrrolidin-3-yl)methyl]-2-oxo-6-propan-2-yl-1H-pyridine-3-carboxamide
SMILESCC(C)c1ccc(C(=O)NCC2CC(=O)N(C3CCCC3)C2)c(=O)[nH]1
InChIInChI=1S/C19H27N3O3/c1-12(2)16-8-7-15(19(25)21-16)18(24)20-10-13-9-17(23)22(11-13)14-5-3-4-6-14/h7-8,12-14H,3-6,9-11H2,1-2H3,(H,20,24)(H,21,25)
InChIKeyOROMYJWZURLLCE-UHFFFAOYSA-N
MW345.44 g/mol
LogP2.02
Rot. Bonds5

About N-[(1-cyclopentyl-5-oxopyrrolidin-3-yl)methyl]-2-oxo-6-propan-2-yl-1H-pyridine-3-carboxamide

N-[(1-cyclopentyl-5-oxopyrrolidin-3-yl)methyl]-2-oxo-6-propan-2-yl-1H-pyridine-3-carboxamide (PubChem CID 131906921) has the molecular formula C19H27N3O3 and a molecular weight of 345.44 g/mol. Its IUPAC name is N-[(1-cyclopentyl-5-oxopyrrolidin-3-yl)methyl]-2-oxo-6-propan-2-yl-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(1-cyclopentyl-5-oxopyrrolidin-3-yl)methyl]-2-oxo-6-propan-2-yl-1H-pyridine-3-carboxamide
PubChem CID131906921
Molecular FormulaC19H27N3O3
Molecular Weight345.44 g/mol
Exact Mass345.21
IUPAC NameN-[(1-cyclopentyl-5-oxopyrrolidin-3-yl)methyl]-2-oxo-6-propan-2-yl-1H-pyridine-3-carboxamide
SMILESCC(C)c1ccc(C(=O)NCC2CC(=O)N(C3CCCC3)C2)c(=O)[nH]1
InChIInChI=1S/C19H27N3O3/c1-12(2)16-8-7-15(19(25)21-16)18(24)20-10-13-9-17(23)22(11-13)14-5-3-4-6-14/h7-8,12-14H,3-6,9-11H2,1-2H3,(H,20,24)(H,21,25)
InChIKeyOROMYJWZURLLCE-UHFFFAOYSA-N
XLogP2.02
TPSA82.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.44
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(1-cyclopentyl-5-oxopyrrolidin-3-yl)methyl]-2-oxo-6-propan-2-yl-1H-pyridine-3-carboxamide?
The IUPAC name of N-[(1-cyclopentyl-5-oxopyrrolidin-3-yl)methyl]-2-oxo-6-propan-2-yl-1H-pyridine-3-carboxamide (CID 131906921) is N-[(1-cyclopentyl-5-oxopyrrolidin-3-yl)methyl]-2-oxo-6-propan-2-yl-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-[(1-cyclopentyl-5-oxopyrrolidin-3-yl)methyl]-2-oxo-6-propan-2-yl-1H-pyridine-3-carboxamide?
The canonical SMILES for N-[(1-cyclopentyl-5-oxopyrrolidin-3-yl)methyl]-2-oxo-6-propan-2-yl-1H-pyridine-3-carboxamide is CC(C)c1ccc(C(=O)NCC2CC(=O)N(C3CCCC3)C2)c(=O)[nH]1.
What is the InChIKey of N-[(1-cyclopentyl-5-oxopyrrolidin-3-yl)methyl]-2-oxo-6-propan-2-yl-1H-pyridine-3-carboxamide?
The InChIKey is OROMYJWZURLLCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O3/c1-12(2)16-8-7-15(19(25)21-16)18(24)20-10-13-9-17(23)22(11-13)14-5-3-4-6-14/h7-8,12-14H,3-6,9-11H2,1-2H3,(H,20,24)(H,21,25).
What are the key properties of N-[(1-cyclopentyl-5-oxopyrrolidin-3-yl)methyl]-2-oxo-6-propan-2-yl-1H-pyridine-3-carboxamide?
N-[(1-cyclopentyl-5-oxopyrrolidin-3-yl)methyl]-2-oxo-6-propan-2-yl-1H-pyridine-3-carboxamide has a molecular weight of 345.44 g/mol, XLogP of 2.02, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-cyclopentyl-5-oxopyrrolidin-3-yl)methyl]-2-oxo-6-propan-2-yl-1H-pyridine-3-carboxamide is sourced from PubChem (CID 131906921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).