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

C17H25N3O2 — CID 130365467

IUPAC6-cyclopropyl-N-(4-methyl-1-propan-2-ylpyrrolidin-3-yl)-2-oxo-1H-pyridine-3-carboxamide
SMILESCC1CN(C(C)C)CC1NC(=O)c1ccc(C2CC2)[nH]c1=O
InChIInChI=1S/C17H25N3O2/c1-10(2)20-8-11(3)15(9-20)19-17(22)13-6-7-14(12-4-5-12)18-16(13)21/h6-7,10-12,15H,4-5,8-9H2,1-3H3,(H,18,21)(H,19,22)
InChIKeyMSUIYVJRPBVSEP-UHFFFAOYSA-N
MW303.41 g/mol
LogP1.71
Rot. Bonds4

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

6-cyclopropyl-N-(4-methyl-1-propan-2-ylpyrrolidin-3-yl)-2-oxo-1H-pyridine-3-carboxamide (PubChem CID 130365467) has the molecular formula C17H25N3O2 and a molecular weight of 303.41 g/mol. Its IUPAC name is 6-cyclopropyl-N-(4-methyl-1-propan-2-ylpyrrolidin-3-yl)-2-oxo-1H-pyridine-3-carboxamide.

Molecular Properties

Compound Name6-cyclopropyl-N-(4-methyl-1-propan-2-ylpyrrolidin-3-yl)-2-oxo-1H-pyridine-3-carboxamide
PubChem CID130365467
Molecular FormulaC17H25N3O2
Molecular Weight303.41 g/mol
Exact Mass303.19
IUPAC Name6-cyclopropyl-N-(4-methyl-1-propan-2-ylpyrrolidin-3-yl)-2-oxo-1H-pyridine-3-carboxamide
SMILESCC1CN(C(C)C)CC1NC(=O)c1ccc(C2CC2)[nH]c1=O
InChIInChI=1S/C17H25N3O2/c1-10(2)20-8-11(3)15(9-20)19-17(22)13-6-7-14(12-4-5-12)18-16(13)21/h6-7,10-12,15H,4-5,8-9H2,1-3H3,(H,18,21)(H,19,22)
InChIKeyMSUIYVJRPBVSEP-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 6-cyclopropyl-N-(4-methyl-1-propan-2-ylpyrrolidin-3-yl)-2-oxo-1H-pyridine-3-carboxamide?
The IUPAC name of 6-cyclopropyl-N-(4-methyl-1-propan-2-ylpyrrolidin-3-yl)-2-oxo-1H-pyridine-3-carboxamide (CID 130365467) is 6-cyclopropyl-N-(4-methyl-1-propan-2-ylpyrrolidin-3-yl)-2-oxo-1H-pyridine-3-carboxamide.
What is the SMILES notation for 6-cyclopropyl-N-(4-methyl-1-propan-2-ylpyrrolidin-3-yl)-2-oxo-1H-pyridine-3-carboxamide?
The canonical SMILES for 6-cyclopropyl-N-(4-methyl-1-propan-2-ylpyrrolidin-3-yl)-2-oxo-1H-pyridine-3-carboxamide is CC1CN(C(C)C)CC1NC(=O)c1ccc(C2CC2)[nH]c1=O.
What is the InChIKey of 6-cyclopropyl-N-(4-methyl-1-propan-2-ylpyrrolidin-3-yl)-2-oxo-1H-pyridine-3-carboxamide?
The InChIKey is MSUIYVJRPBVSEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O2/c1-10(2)20-8-11(3)15(9-20)19-17(22)13-6-7-14(12-4-5-12)18-16(13)21/h6-7,10-12,15H,4-5,8-9H2,1-3H3,(H,18,21)(H,19,22).
What are the key properties of 6-cyclopropyl-N-(4-methyl-1-propan-2-ylpyrrolidin-3-yl)-2-oxo-1H-pyridine-3-carboxamide?
6-cyclopropyl-N-(4-methyl-1-propan-2-ylpyrrolidin-3-yl)-2-oxo-1H-pyridine-3-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 6-cyclopropyl-N-(4-methyl-1-propan-2-ylpyrrolidin-3-yl)-2-oxo-1H-pyridine-3-carboxamide is sourced from PubChem (CID 130365467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).