4,6-dimethyl-N-[[1-(2-methylpropyl)pyrrolidin-3-yl]methyl]-2-oxo-1H-pyridine-3-carboxamide

C17H27N3O2 — CID 56711017

IUPAC4,6-dimethyl-N-[[1-(2-methylpropyl)pyrrolidin-3-yl]methyl]-2-oxo-1H-pyridine-3-carboxamide
SMILESCc1cc(C)c(C(=O)NCC2CCN(CC(C)C)C2)c(=O)[nH]1
InChIInChI=1S/C17H27N3O2/c1-11(2)9-20-6-5-14(10-20)8-18-16(21)15-12(3)7-13(4)19-17(15)22/h7,11,14H,5-6,8-10H2,1-4H3,(H,18,21)(H,19,22)
InChIKeyHSZRIHAMUVFZRB-UHFFFAOYSA-N
MW305.42 g/mol
LogP1.70
Rot. Bonds5

About 4,6-dimethyl-N-[[1-(2-methylpropyl)pyrrolidin-3-yl]methyl]-2-oxo-1H-pyridine-3-carboxamide

4,6-dimethyl-N-[[1-(2-methylpropyl)pyrrolidin-3-yl]methyl]-2-oxo-1H-pyridine-3-carboxamide (PubChem CID 56711017) has the molecular formula C17H27N3O2 and a molecular weight of 305.42 g/mol. Its IUPAC name is 4,6-dimethyl-N-[[1-(2-methylpropyl)pyrrolidin-3-yl]methyl]-2-oxo-1H-pyridine-3-carboxamide.

Molecular Properties

Compound Name4,6-dimethyl-N-[[1-(2-methylpropyl)pyrrolidin-3-yl]methyl]-2-oxo-1H-pyridine-3-carboxamide
PubChem CID56711017
Molecular FormulaC17H27N3O2
Molecular Weight305.42 g/mol
Exact Mass305.21
IUPAC Name4,6-dimethyl-N-[[1-(2-methylpropyl)pyrrolidin-3-yl]methyl]-2-oxo-1H-pyridine-3-carboxamide
SMILESCc1cc(C)c(C(=O)NCC2CCN(CC(C)C)C2)c(=O)[nH]1
InChIInChI=1S/C17H27N3O2/c1-11(2)9-20-6-5-14(10-20)8-18-16(21)15-12(3)7-13(4)19-17(15)22/h7,11,14H,5-6,8-10H2,1-4H3,(H,18,21)(H,19,22)
InChIKeyHSZRIHAMUVFZRB-UHFFFAOYSA-N
XLogP1.70
TPSA65.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.42
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4,6-dimethyl-N-[[1-(2-methylpropyl)pyrrolidin-3-yl]methyl]-2-oxo-1H-pyridine-3-carboxamide?
The IUPAC name of 4,6-dimethyl-N-[[1-(2-methylpropyl)pyrrolidin-3-yl]methyl]-2-oxo-1H-pyridine-3-carboxamide (CID 56711017) is 4,6-dimethyl-N-[[1-(2-methylpropyl)pyrrolidin-3-yl]methyl]-2-oxo-1H-pyridine-3-carboxamide.
What is the SMILES notation for 4,6-dimethyl-N-[[1-(2-methylpropyl)pyrrolidin-3-yl]methyl]-2-oxo-1H-pyridine-3-carboxamide?
The canonical SMILES for 4,6-dimethyl-N-[[1-(2-methylpropyl)pyrrolidin-3-yl]methyl]-2-oxo-1H-pyridine-3-carboxamide is Cc1cc(C)c(C(=O)NCC2CCN(CC(C)C)C2)c(=O)[nH]1.
What is the InChIKey of 4,6-dimethyl-N-[[1-(2-methylpropyl)pyrrolidin-3-yl]methyl]-2-oxo-1H-pyridine-3-carboxamide?
The InChIKey is HSZRIHAMUVFZRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O2/c1-11(2)9-20-6-5-14(10-20)8-18-16(21)15-12(3)7-13(4)19-17(15)22/h7,11,14H,5-6,8-10H2,1-4H3,(H,18,21)(H,19,22).
What are the key properties of 4,6-dimethyl-N-[[1-(2-methylpropyl)pyrrolidin-3-yl]methyl]-2-oxo-1H-pyridine-3-carboxamide?
4,6-dimethyl-N-[[1-(2-methylpropyl)pyrrolidin-3-yl]methyl]-2-oxo-1H-pyridine-3-carboxamide has a molecular weight of 305.42 g/mol, XLogP of 1.70, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethyl-N-[[1-(2-methylpropyl)pyrrolidin-3-yl]methyl]-2-oxo-1H-pyridine-3-carboxamide is sourced from PubChem (CID 56711017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).