1-(2-amino-1-pyridin-2-ylpropyl)pyrrolidine-3-carboxamide

C13H20N4O — CID 114081775

IUPAC1-(2-amino-1-pyridin-2-ylpropyl)pyrrolidine-3-carboxamide
SMILESCC(N)C(c1ccccn1)N1CCC(C(N)=O)C1
InChIInChI=1S/C13H20N4O/c1-9(14)12(11-4-2-3-6-16-11)17-7-5-10(8-17)13(15)18/h2-4,6,9-10,12H,5,7-8,14H2,1H3,(H2,15,18)
InChIKeyFAQWCJUWKCUORC-UHFFFAOYSA-N
MW248.33 g/mol
LogP0.28
Rot. Bonds4

About 1-(2-amino-1-pyridin-2-ylpropyl)pyrrolidine-3-carboxamide

1-(2-amino-1-pyridin-2-ylpropyl)pyrrolidine-3-carboxamide (PubChem CID 114081775) has the molecular formula C13H20N4O and a molecular weight of 248.33 g/mol. Its IUPAC name is 1-(2-amino-1-pyridin-2-ylpropyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(2-amino-1-pyridin-2-ylpropyl)pyrrolidine-3-carboxamide
PubChem CID114081775
Molecular FormulaC13H20N4O
Molecular Weight248.33 g/mol
Exact Mass248.16
IUPAC Name1-(2-amino-1-pyridin-2-ylpropyl)pyrrolidine-3-carboxamide
SMILESCC(N)C(c1ccccn1)N1CCC(C(N)=O)C1
InChIInChI=1S/C13H20N4O/c1-9(14)12(11-4-2-3-6-16-11)17-7-5-10(8-17)13(15)18/h2-4,6,9-10,12H,5,7-8,14H2,1H3,(H2,15,18)
InChIKeyFAQWCJUWKCUORC-UHFFFAOYSA-N
XLogP0.28
TPSA85.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 50.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-1-pyridin-2-ylpropyl)pyrrolidine-3-carboxamide?
The IUPAC name of 1-(2-amino-1-pyridin-2-ylpropyl)pyrrolidine-3-carboxamide (CID 114081775) is 1-(2-amino-1-pyridin-2-ylpropyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(2-amino-1-pyridin-2-ylpropyl)pyrrolidine-3-carboxamide?
The canonical SMILES for 1-(2-amino-1-pyridin-2-ylpropyl)pyrrolidine-3-carboxamide is CC(N)C(c1ccccn1)N1CCC(C(N)=O)C1.
What is the InChIKey of 1-(2-amino-1-pyridin-2-ylpropyl)pyrrolidine-3-carboxamide?
The InChIKey is FAQWCJUWKCUORC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O/c1-9(14)12(11-4-2-3-6-16-11)17-7-5-10(8-17)13(15)18/h2-4,6,9-10,12H,5,7-8,14H2,1H3,(H2,15,18).
What are the key properties of 1-(2-amino-1-pyridin-2-ylpropyl)pyrrolidine-3-carboxamide?
1-(2-amino-1-pyridin-2-ylpropyl)pyrrolidine-3-carboxamide has a molecular weight of 248.33 g/mol, XLogP of 0.28, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-1-pyridin-2-ylpropyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 114081775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).