N-[phenyl(pyridin-2-yl)methyl]pyrrol-1-amine

C16H15N3 — CID 79090024

IUPACN-[phenyl(pyridin-2-yl)methyl]pyrrol-1-amine
SMILESc1ccc(C(Nn2cccc2)c2ccccn2)cc1
InChIInChI=1S/C16H15N3/c1-2-8-14(9-3-1)16(15-10-4-5-11-17-15)18-19-12-6-7-13-19/h1-13,16,18H
InChIKeyHWDRIVDGDIXZBC-UHFFFAOYSA-N
MW249.32 g/mol
LogP3.22
Rot. Bonds4

About N-[phenyl(pyridin-2-yl)methyl]pyrrol-1-amine

N-[phenyl(pyridin-2-yl)methyl]pyrrol-1-amine (PubChem CID 79090024) has the molecular formula C16H15N3 and a molecular weight of 249.32 g/mol. Its IUPAC name is N-[phenyl(pyridin-2-yl)methyl]pyrrol-1-amine.

Molecular Properties

Compound NameN-[phenyl(pyridin-2-yl)methyl]pyrrol-1-amine
PubChem CID79090024
Molecular FormulaC16H15N3
Molecular Weight249.32 g/mol
Exact Mass249.13
IUPAC NameN-[phenyl(pyridin-2-yl)methyl]pyrrol-1-amine
SMILESc1ccc(C(Nn2cccc2)c2ccccn2)cc1
InChIInChI=1S/C16H15N3/c1-2-8-14(9-3-1)16(15-10-4-5-11-17-15)18-19-12-6-7-13-19/h1-13,16,18H
InChIKeyHWDRIVDGDIXZBC-UHFFFAOYSA-N
XLogP3.22
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.32
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[phenyl(pyridin-2-yl)methyl]pyrrol-1-amine?
The IUPAC name of N-[phenyl(pyridin-2-yl)methyl]pyrrol-1-amine (CID 79090024) is N-[phenyl(pyridin-2-yl)methyl]pyrrol-1-amine.
What is the SMILES notation for N-[phenyl(pyridin-2-yl)methyl]pyrrol-1-amine?
The canonical SMILES for N-[phenyl(pyridin-2-yl)methyl]pyrrol-1-amine is c1ccc(C(Nn2cccc2)c2ccccn2)cc1.
What is the InChIKey of N-[phenyl(pyridin-2-yl)methyl]pyrrol-1-amine?
The InChIKey is HWDRIVDGDIXZBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3/c1-2-8-14(9-3-1)16(15-10-4-5-11-17-15)18-19-12-6-7-13-19/h1-13,16,18H.
What are the key properties of N-[phenyl(pyridin-2-yl)methyl]pyrrol-1-amine?
N-[phenyl(pyridin-2-yl)methyl]pyrrol-1-amine has a molecular weight of 249.32 g/mol, XLogP of 3.22, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[phenyl(pyridin-2-yl)methyl]pyrrol-1-amine is sourced from PubChem (CID 79090024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).