1-methyl-6-oxo-N-(2-pyrrolidin-1-ylethyl)pyridine-3-carboxamide

C13H19N3O2 — CID 126802784

IUPAC1-methyl-6-oxo-N-(2-pyrrolidin-1-ylethyl)pyridine-3-carboxamide
SMILESCn1cc(C(=O)NCCN2CCCC2)ccc1=O
InChIInChI=1S/C13H19N3O2/c1-15-10-11(4-5-12(15)17)13(18)14-6-9-16-7-2-3-8-16/h4-5,10H,2-3,6-9H2,1H3,(H,14,18)
InChIKeyBHVHUAARAHRDNS-UHFFFAOYSA-N
MW249.31 g/mol
LogP0.21
Rot. Bonds4

About 1-methyl-6-oxo-N-(2-pyrrolidin-1-ylethyl)pyridine-3-carboxamide

1-methyl-6-oxo-N-(2-pyrrolidin-1-ylethyl)pyridine-3-carboxamide (PubChem CID 126802784) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is 1-methyl-6-oxo-N-(2-pyrrolidin-1-ylethyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name1-methyl-6-oxo-N-(2-pyrrolidin-1-ylethyl)pyridine-3-carboxamide
PubChem CID126802784
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC Name1-methyl-6-oxo-N-(2-pyrrolidin-1-ylethyl)pyridine-3-carboxamide
SMILESCn1cc(C(=O)NCCN2CCCC2)ccc1=O
InChIInChI=1S/C13H19N3O2/c1-15-10-11(4-5-12(15)17)13(18)14-6-9-16-7-2-3-8-16/h4-5,10H,2-3,6-9H2,1H3,(H,14,18)
InChIKeyBHVHUAARAHRDNS-UHFFFAOYSA-N
XLogP0.21
TPSA54.34 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 50.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-6-oxo-N-(2-pyrrolidin-1-ylethyl)pyridine-3-carboxamide?
The IUPAC name of 1-methyl-6-oxo-N-(2-pyrrolidin-1-ylethyl)pyridine-3-carboxamide (CID 126802784) is 1-methyl-6-oxo-N-(2-pyrrolidin-1-ylethyl)pyridine-3-carboxamide.
What is the SMILES notation for 1-methyl-6-oxo-N-(2-pyrrolidin-1-ylethyl)pyridine-3-carboxamide?
The canonical SMILES for 1-methyl-6-oxo-N-(2-pyrrolidin-1-ylethyl)pyridine-3-carboxamide is Cn1cc(C(=O)NCCN2CCCC2)ccc1=O.
What is the InChIKey of 1-methyl-6-oxo-N-(2-pyrrolidin-1-ylethyl)pyridine-3-carboxamide?
The InChIKey is BHVHUAARAHRDNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2/c1-15-10-11(4-5-12(15)17)13(18)14-6-9-16-7-2-3-8-16/h4-5,10H,2-3,6-9H2,1H3,(H,14,18).
What are the key properties of 1-methyl-6-oxo-N-(2-pyrrolidin-1-ylethyl)pyridine-3-carboxamide?
1-methyl-6-oxo-N-(2-pyrrolidin-1-ylethyl)pyridine-3-carboxamide has a molecular weight of 249.31 g/mol, XLogP of 0.21, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-6-oxo-N-(2-pyrrolidin-1-ylethyl)pyridine-3-carboxamide is sourced from PubChem (CID 126802784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).