N-cyclobutyl-3-(3,4-dihydro-2H-pyrrol-5-yl)pyridin-2-amine

C13H17N3 — CID 102540408

IUPACN-cyclobutyl-3-(3,4-dihydro-2H-pyrrol-5-yl)pyridin-2-amine
SMILESc1cnc(NC2CCC2)c(C2=NCCC2)c1
InChIInChI=1S/C13H17N3/c1-4-10(5-1)16-13-11(6-2-9-15-13)12-7-3-8-14-12/h2,6,9-10H,1,3-5,7-8H2,(H,15,16)
InChIKeyUWIZNTXIPXEQOJ-UHFFFAOYSA-N
MW215.30 g/mol
LogP2.63
Rot. Bonds3

About N-cyclobutyl-3-(3,4-dihydro-2H-pyrrol-5-yl)pyridin-2-amine

N-cyclobutyl-3-(3,4-dihydro-2H-pyrrol-5-yl)pyridin-2-amine (PubChem CID 102540408) has the molecular formula C13H17N3 and a molecular weight of 215.30 g/mol. Its IUPAC name is N-cyclobutyl-3-(3,4-dihydro-2H-pyrrol-5-yl)pyridin-2-amine.

Molecular Properties

Compound NameN-cyclobutyl-3-(3,4-dihydro-2H-pyrrol-5-yl)pyridin-2-amine
PubChem CID102540408
Molecular FormulaC13H17N3
Molecular Weight215.30 g/mol
Exact Mass215.14
IUPAC NameN-cyclobutyl-3-(3,4-dihydro-2H-pyrrol-5-yl)pyridin-2-amine
SMILESc1cnc(NC2CCC2)c(C2=NCCC2)c1
InChIInChI=1S/C13H17N3/c1-4-10(5-1)16-13-11(6-2-9-15-13)12-7-3-8-14-12/h2,6,9-10H,1,3-5,7-8H2,(H,15,16)
InChIKeyUWIZNTXIPXEQOJ-UHFFFAOYSA-N
XLogP2.63
TPSA37.28 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-cyclobutyl-3-(3,4-dihydro-2H-pyrrol-5-yl)pyridin-2-amine?
The IUPAC name of N-cyclobutyl-3-(3,4-dihydro-2H-pyrrol-5-yl)pyridin-2-amine (CID 102540408) is N-cyclobutyl-3-(3,4-dihydro-2H-pyrrol-5-yl)pyridin-2-amine.
What is the SMILES notation for N-cyclobutyl-3-(3,4-dihydro-2H-pyrrol-5-yl)pyridin-2-amine?
The canonical SMILES for N-cyclobutyl-3-(3,4-dihydro-2H-pyrrol-5-yl)pyridin-2-amine is c1cnc(NC2CCC2)c(C2=NCCC2)c1.
What is the InChIKey of N-cyclobutyl-3-(3,4-dihydro-2H-pyrrol-5-yl)pyridin-2-amine?
The InChIKey is UWIZNTXIPXEQOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3/c1-4-10(5-1)16-13-11(6-2-9-15-13)12-7-3-8-14-12/h2,6,9-10H,1,3-5,7-8H2,(H,15,16).
What are the key properties of N-cyclobutyl-3-(3,4-dihydro-2H-pyrrol-5-yl)pyridin-2-amine?
N-cyclobutyl-3-(3,4-dihydro-2H-pyrrol-5-yl)pyridin-2-amine has a molecular weight of 215.30 g/mol, XLogP of 2.63, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclobutyl-3-(3,4-dihydro-2H-pyrrol-5-yl)pyridin-2-amine is sourced from PubChem (CID 102540408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).