3-(cyclopropylmethoxy)-N-pyridin-3-ylpyrrolidine-1-carboxamide

C14H19N3O2 — CID 119105538

IUPAC3-(cyclopropylmethoxy)-N-pyridin-3-ylpyrrolidine-1-carboxamide
SMILESO=C(Nc1cccnc1)N1CCC(OCC2CC2)C1
InChIInChI=1S/C14H19N3O2/c18-14(16-12-2-1-6-15-8-12)17-7-5-13(9-17)19-10-11-3-4-11/h1-2,6,8,11,13H,3-5,7,9-10H2,(H,16,18)
InChIKeyJSLCLCCEWNKKGA-UHFFFAOYSA-N
MW261.32 g/mol
LogP2.11
Rot. Bonds4

About 3-(cyclopropylmethoxy)-N-pyridin-3-ylpyrrolidine-1-carboxamide

3-(cyclopropylmethoxy)-N-pyridin-3-ylpyrrolidine-1-carboxamide (PubChem CID 119105538) has the molecular formula C14H19N3O2 and a molecular weight of 261.32 g/mol. Its IUPAC name is 3-(cyclopropylmethoxy)-N-pyridin-3-ylpyrrolidine-1-carboxamide.

Molecular Properties

Compound Name3-(cyclopropylmethoxy)-N-pyridin-3-ylpyrrolidine-1-carboxamide
PubChem CID119105538
Molecular FormulaC14H19N3O2
Molecular Weight261.32 g/mol
Exact Mass261.15
IUPAC Name3-(cyclopropylmethoxy)-N-pyridin-3-ylpyrrolidine-1-carboxamide
SMILESO=C(Nc1cccnc1)N1CCC(OCC2CC2)C1
InChIInChI=1S/C14H19N3O2/c18-14(16-12-2-1-6-15-8-12)17-7-5-13(9-17)19-10-11-3-4-11/h1-2,6,8,11,13H,3-5,7,9-10H2,(H,16,18)
InChIKeyJSLCLCCEWNKKGA-UHFFFAOYSA-N
XLogP2.11
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(cyclopropylmethoxy)-N-pyridin-3-ylpyrrolidine-1-carboxamide?
The IUPAC name of 3-(cyclopropylmethoxy)-N-pyridin-3-ylpyrrolidine-1-carboxamide (CID 119105538) is 3-(cyclopropylmethoxy)-N-pyridin-3-ylpyrrolidine-1-carboxamide.
What is the SMILES notation for 3-(cyclopropylmethoxy)-N-pyridin-3-ylpyrrolidine-1-carboxamide?
The canonical SMILES for 3-(cyclopropylmethoxy)-N-pyridin-3-ylpyrrolidine-1-carboxamide is O=C(Nc1cccnc1)N1CCC(OCC2CC2)C1.
What is the InChIKey of 3-(cyclopropylmethoxy)-N-pyridin-3-ylpyrrolidine-1-carboxamide?
The InChIKey is JSLCLCCEWNKKGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2/c18-14(16-12-2-1-6-15-8-12)17-7-5-13(9-17)19-10-11-3-4-11/h1-2,6,8,11,13H,3-5,7,9-10H2,(H,16,18).
What are the key properties of 3-(cyclopropylmethoxy)-N-pyridin-3-ylpyrrolidine-1-carboxamide?
3-(cyclopropylmethoxy)-N-pyridin-3-ylpyrrolidine-1-carboxamide has a molecular weight of 261.32 g/mol, XLogP of 2.11, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopropylmethoxy)-N-pyridin-3-ylpyrrolidine-1-carboxamide is sourced from PubChem (CID 119105538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).