N-(pyridin-3-ylmethyl)-3-pyrrol-1-ylaniline

C16H15N3 — CID 43732990

IUPACN-(pyridin-3-ylmethyl)-3-pyrrol-1-ylaniline
SMILESc1cncc(CNc2cccc(-n3cccc3)c2)c1
InChIInChI=1S/C16H15N3/c1-2-10-19(9-1)16-7-3-6-15(11-16)18-13-14-5-4-8-17-12-14/h1-12,18H,13H2
InChIKeyXIJSJNZDSDLMPA-UHFFFAOYSA-N
MW249.32 g/mol
LogP3.48
Rot. Bonds4

About N-(pyridin-3-ylmethyl)-3-pyrrol-1-ylaniline

N-(pyridin-3-ylmethyl)-3-pyrrol-1-ylaniline (PubChem CID 43732990) has the molecular formula C16H15N3 and a molecular weight of 249.32 g/mol. Its IUPAC name is N-(pyridin-3-ylmethyl)-3-pyrrol-1-ylaniline.

Molecular Properties

Compound NameN-(pyridin-3-ylmethyl)-3-pyrrol-1-ylaniline
PubChem CID43732990
Molecular FormulaC16H15N3
Molecular Weight249.32 g/mol
Exact Mass249.13
IUPAC NameN-(pyridin-3-ylmethyl)-3-pyrrol-1-ylaniline
SMILESc1cncc(CNc2cccc(-n3cccc3)c2)c1
InChIInChI=1S/C16H15N3/c1-2-10-19(9-1)16-7-3-6-15(11-16)18-13-14-5-4-8-17-12-14/h1-12,18H,13H2
InChIKeyXIJSJNZDSDLMPA-UHFFFAOYSA-N
XLogP3.48
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 ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(pyrazin-2-ylmethyl)-3-pyrrol-1-ylaniline
CID 62761120
N-(pyridin-3-ylmethyl)pyridin-3-amine
CID 13304847
3-[3-(pyridin-3-ylmethylamino)phenyl]-1,3-oxazolidin-2-one
CID 43727252
3-imidazol-1-yl-N-[(6-methyl-3-pyridinyl)methyl]aniline
CID 104756648
3-imidazol-1-yl-N-(pyridin-4-ylmethyl)aniline
CID 43678338
N-(2-phenylethyl)-3-pyrrol-1-ylaniline
CID 43732988
N-[(2,6-dichlorophenyl)methyl]-3-pyrrol-1-ylaniline
CID 43733014
N-[(1-methylimidazol-2-yl)methyl]-3-pyrrol-1-ylaniline
CID 55064678
N-(1H-imidazol-2-ylmethyl)-3-pyrrol-1-ylaniline
CID 54976273
N,N-dimethyl-3-(pyridin-3-ylmethylamino)benzenesulfonamide
CID 43425856
3-bromo-4-methyl-N-(pyridin-3-ylmethyl)aniline
CID 39375964
N-[(4-chloro-3-fluorophenyl)methyl]-3-pyrrol-1-ylaniline
CID 63445705

Frequently Asked Questions

What is the IUPAC name of N-(pyridin-3-ylmethyl)-3-pyrrol-1-ylaniline?
The IUPAC name of N-(pyridin-3-ylmethyl)-3-pyrrol-1-ylaniline (CID 43732990) is N-(pyridin-3-ylmethyl)-3-pyrrol-1-ylaniline.
What is the SMILES notation for N-(pyridin-3-ylmethyl)-3-pyrrol-1-ylaniline?
The canonical SMILES for N-(pyridin-3-ylmethyl)-3-pyrrol-1-ylaniline is c1cncc(CNc2cccc(-n3cccc3)c2)c1.
What is the InChIKey of N-(pyridin-3-ylmethyl)-3-pyrrol-1-ylaniline?
The InChIKey is XIJSJNZDSDLMPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3/c1-2-10-19(9-1)16-7-3-6-15(11-16)18-13-14-5-4-8-17-12-14/h1-12,18H,13H2.
What are the key properties of N-(pyridin-3-ylmethyl)-3-pyrrol-1-ylaniline?
N-(pyridin-3-ylmethyl)-3-pyrrol-1-ylaniline has a molecular weight of 249.32 g/mol, XLogP of 3.48, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(pyridin-3-ylmethyl)-3-pyrrol-1-ylaniline is sourced from PubChem (CID 43732990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).