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

C10H13N3 — CID 2123179

IUPACN-(pyridin-4-ylmethyl)-3,4-dihydro-2H-pyrrol-5-amine
SMILESc1cc(CNC2=NCCC2)ccn1
InChIInChI=1S/C10H13N3/c1-2-10(12-5-1)13-8-9-3-6-11-7-4-9/h3-4,6-7H,1-2,5,8H2,(H,12,13)
InChIKeyYFXBHNMOSMFBPP-UHFFFAOYSA-N
MW175.24 g/mol
LogP1.36
Rot. Bonds2

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

N-(pyridin-4-ylmethyl)-3,4-dihydro-2H-pyrrol-5-amine (PubChem CID 2123179) has the molecular formula C10H13N3 and a molecular weight of 175.24 g/mol. Its IUPAC name is N-(pyridin-4-ylmethyl)-3,4-dihydro-2H-pyrrol-5-amine.

Molecular Properties

Compound NameN-(pyridin-4-ylmethyl)-3,4-dihydro-2H-pyrrol-5-amine
PubChem CID2123179
Molecular FormulaC10H13N3
Molecular Weight175.24 g/mol
Exact Mass175.11
IUPAC NameN-(pyridin-4-ylmethyl)-3,4-dihydro-2H-pyrrol-5-amine
SMILESc1cc(CNC2=NCCC2)ccn1
InChIInChI=1S/C10H13N3/c1-2-10(12-5-1)13-8-9-3-6-11-7-4-9/h3-4,6-7H,1-2,5,8H2,(H,12,13)
InChIKeyYFXBHNMOSMFBPP-UHFFFAOYSA-N
XLogP1.36
TPSA37.28 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.24
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(pyridin-4-ylmethyl)-3,4-dihydro-2H-pyrrol-5-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(pyridin-4-ylmethyl)-3,4-dihydro-2H-pyrrol-5-amine?
The IUPAC name of N-(pyridin-4-ylmethyl)-3,4-dihydro-2H-pyrrol-5-amine (CID 2123179) is N-(pyridin-4-ylmethyl)-3,4-dihydro-2H-pyrrol-5-amine.
What is the SMILES notation for N-(pyridin-4-ylmethyl)-3,4-dihydro-2H-pyrrol-5-amine?
The canonical SMILES for N-(pyridin-4-ylmethyl)-3,4-dihydro-2H-pyrrol-5-amine is c1cc(CNC2=NCCC2)ccn1.
What is the InChIKey of N-(pyridin-4-ylmethyl)-3,4-dihydro-2H-pyrrol-5-amine?
The InChIKey is YFXBHNMOSMFBPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3/c1-2-10(12-5-1)13-8-9-3-6-11-7-4-9/h3-4,6-7H,1-2,5,8H2,(H,12,13).
What are the key properties of N-(pyridin-4-ylmethyl)-3,4-dihydro-2H-pyrrol-5-amine?
N-(pyridin-4-ylmethyl)-3,4-dihydro-2H-pyrrol-5-amine has a molecular weight of 175.24 g/mol, XLogP of 1.36, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(pyridin-4-ylmethyl)-3,4-dihydro-2H-pyrrol-5-amine is sourced from PubChem (CID 2123179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).