N-methyl-N-pyridin-2-ylpyrrolidine-1-carboxamide

C11H15N3O — CID 116653994

IUPACN-methyl-N-pyridin-2-ylpyrrolidine-1-carboxamide
SMILESCN(C(=O)N1CCCC1)c1ccccn1
InChIInChI=1S/C11H15N3O/c1-13(10-6-2-3-7-12-10)11(15)14-8-4-5-9-14/h2-3,6-7H,4-5,8-9H2,1H3
InChIKeyOOJRBMFTLYNCDQ-UHFFFAOYSA-N
MW205.26 g/mol
LogP1.73
Rot. Bonds1

About N-methyl-N-pyridin-2-ylpyrrolidine-1-carboxamide

N-methyl-N-pyridin-2-ylpyrrolidine-1-carboxamide (PubChem CID 116653994) has the molecular formula C11H15N3O and a molecular weight of 205.26 g/mol. Its IUPAC name is N-methyl-N-pyridin-2-ylpyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-methyl-N-pyridin-2-ylpyrrolidine-1-carboxamide
PubChem CID116653994
Molecular FormulaC11H15N3O
Molecular Weight205.26 g/mol
Exact Mass205.12
IUPAC NameN-methyl-N-pyridin-2-ylpyrrolidine-1-carboxamide
SMILESCN(C(=O)N1CCCC1)c1ccccn1
InChIInChI=1S/C11H15N3O/c1-13(10-6-2-3-7-12-10)11(15)14-8-4-5-9-14/h2-3,6-7H,4-5,8-9H2,1H3
InChIKeyOOJRBMFTLYNCDQ-UHFFFAOYSA-N
XLogP1.73
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 51.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-pyridin-2-ylpyrrolidine-1-carboxamide?
The IUPAC name of N-methyl-N-pyridin-2-ylpyrrolidine-1-carboxamide (CID 116653994) is N-methyl-N-pyridin-2-ylpyrrolidine-1-carboxamide.
What is the SMILES notation for N-methyl-N-pyridin-2-ylpyrrolidine-1-carboxamide?
The canonical SMILES for N-methyl-N-pyridin-2-ylpyrrolidine-1-carboxamide is CN(C(=O)N1CCCC1)c1ccccn1.
What is the InChIKey of N-methyl-N-pyridin-2-ylpyrrolidine-1-carboxamide?
The InChIKey is OOJRBMFTLYNCDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O/c1-13(10-6-2-3-7-12-10)11(15)14-8-4-5-9-14/h2-3,6-7H,4-5,8-9H2,1H3.
What are the key properties of N-methyl-N-pyridin-2-ylpyrrolidine-1-carboxamide?
N-methyl-N-pyridin-2-ylpyrrolidine-1-carboxamide has a molecular weight of 205.26 g/mol, XLogP of 1.73, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-pyridin-2-ylpyrrolidine-1-carboxamide is sourced from PubChem (CID 116653994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).