(3R)-1-(2-cyclopropyloxy-4-pyridinyl)pyrrolidine-3-carboxamide

C13H17N3O2 — CID 118058182

IUPAC(3R)-1-(2-cyclopropyloxy-4-pyridinyl)pyrrolidine-3-carboxamide
SMILESNC(=O)[C@@H]1CCN(c2ccnc(OC3CC3)c2)C1
InChIInChI=1S/C13H17N3O2/c14-13(17)9-4-6-16(8-9)10-3-5-15-12(7-10)18-11-1-2-11/h3,5,7,9,11H,1-2,4,6,8H2,(H2,14,17)/t9-/m1/s1
InChIKeyHTGWBPHHZVXHTJ-SECBINFHSA-N
MW247.30 g/mol
LogP0.93
Rot. Bonds4

About (3R)-1-(2-cyclopropyloxy-4-pyridinyl)pyrrolidine-3-carboxamide

(3R)-1-(2-cyclopropyloxy-4-pyridinyl)pyrrolidine-3-carboxamide (PubChem CID 118058182) has the molecular formula C13H17N3O2 and a molecular weight of 247.30 g/mol. Its IUPAC name is (3R)-1-(2-cyclopropyloxy-4-pyridinyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-(2-cyclopropyloxy-4-pyridinyl)pyrrolidine-3-carboxamide
PubChem CID118058182
Molecular FormulaC13H17N3O2
Molecular Weight247.30 g/mol
Exact Mass247.13
IUPAC Name(3R)-1-(2-cyclopropyloxy-4-pyridinyl)pyrrolidine-3-carboxamide
SMILESNC(=O)[C@@H]1CCN(c2ccnc(OC3CC3)c2)C1
InChIInChI=1S/C13H17N3O2/c14-13(17)9-4-6-16(8-9)10-3-5-15-12(7-10)18-11-1-2-11/h3,5,7,9,11H,1-2,4,6,8H2,(H2,14,17)/t9-/m1/s1
InChIKeyHTGWBPHHZVXHTJ-SECBINFHSA-N
XLogP0.93
TPSA68.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3R)-1-(2-cyclopropyloxy-4-pyridinyl)pyrrolidine-3-carboxamide?
The IUPAC name of (3R)-1-(2-cyclopropyloxy-4-pyridinyl)pyrrolidine-3-carboxamide (CID 118058182) is (3R)-1-(2-cyclopropyloxy-4-pyridinyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for (3R)-1-(2-cyclopropyloxy-4-pyridinyl)pyrrolidine-3-carboxamide?
The canonical SMILES for (3R)-1-(2-cyclopropyloxy-4-pyridinyl)pyrrolidine-3-carboxamide is NC(=O)[C@@H]1CCN(c2ccnc(OC3CC3)c2)C1.
What is the InChIKey of (3R)-1-(2-cyclopropyloxy-4-pyridinyl)pyrrolidine-3-carboxamide?
The InChIKey is HTGWBPHHZVXHTJ-SECBINFHSA-N. The full InChI is InChI=1S/C13H17N3O2/c14-13(17)9-4-6-16(8-9)10-3-5-15-12(7-10)18-11-1-2-11/h3,5,7,9,11H,1-2,4,6,8H2,(H2,14,17)/t9-/m1/s1.
What are the key properties of (3R)-1-(2-cyclopropyloxy-4-pyridinyl)pyrrolidine-3-carboxamide?
(3R)-1-(2-cyclopropyloxy-4-pyridinyl)pyrrolidine-3-carboxamide has a molecular weight of 247.30 g/mol, XLogP of 0.93, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(2-cyclopropyloxy-4-pyridinyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 118058182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).