N-(pyridin-4-ylmethyl)-3-(pyrrolidin-1-ylmethyl)aniline

C17H21N3 — CID 43691841

IUPACN-(pyridin-4-ylmethyl)-3-(pyrrolidin-1-ylmethyl)aniline
SMILESc1cc(CN2CCCC2)cc(NCc2ccncc2)c1
InChIInChI=1S/C17H21N3/c1-2-11-20(10-1)14-16-4-3-5-17(12-16)19-13-15-6-8-18-9-7-15/h3-9,12,19H,1-2,10-11,13-14H2
InChIKeyIBSFIDBRVFTFTN-UHFFFAOYSA-N
MW267.38 g/mol
LogP3.29
Rot. Bonds5

About N-(pyridin-4-ylmethyl)-3-(pyrrolidin-1-ylmethyl)aniline

N-(pyridin-4-ylmethyl)-3-(pyrrolidin-1-ylmethyl)aniline (PubChem CID 43691841) has the molecular formula C17H21N3 and a molecular weight of 267.38 g/mol. Its IUPAC name is N-(pyridin-4-ylmethyl)-3-(pyrrolidin-1-ylmethyl)aniline.

Molecular Properties

Compound NameN-(pyridin-4-ylmethyl)-3-(pyrrolidin-1-ylmethyl)aniline
PubChem CID43691841
Molecular FormulaC17H21N3
Molecular Weight267.38 g/mol
Exact Mass267.17
IUPAC NameN-(pyridin-4-ylmethyl)-3-(pyrrolidin-1-ylmethyl)aniline
SMILESc1cc(CN2CCCC2)cc(NCc2ccncc2)c1
InChIInChI=1S/C17H21N3/c1-2-11-20(10-1)14-16-4-3-5-17(12-16)19-13-15-6-8-18-9-7-15/h3-9,12,19H,1-2,10-11,13-14H2
InChIKeyIBSFIDBRVFTFTN-UHFFFAOYSA-N
XLogP3.29
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.38
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(pyridin-4-ylmethyl)-3-(pyrrolidin-1-ylmethyl)aniline with MolForge

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

Launch Full Analysis

Related Compounds

N-benzyl-3-(piperidin-1-ylmethyl)aniline
CID 59121183
4-[[3-(piperidin-1-ylmethyl)anilino]methyl]benzoic acid
CID 122029517
N-prop-2-ynyl-3-(pyrrolidin-1-ylmethyl)aniline
CID 63952076
N-[(5-chlorothiophen-2-yl)methyl]-3-(pyrrolidin-1-ylmethyl)aniline
CID 43435775
N-[(5-bromothiophen-2-yl)methyl]-3-(pyrrolidin-1-ylmethyl)aniline
CID 43691850
N-[(4-methyl-1,3-thiazol-2-yl)methyl]-3-(pyrrolidin-1-ylmethyl)aniline
CID 115743149
methyl 2-[3-[[3-(piperidin-1-ylmethyl)anilino]methyl]phenyl]acetate
CID 91339483
tert-butyl N-[3-(pyrrolidin-1-ylmethyl)phenyl]carbamate
CID 65142881
3-(4-ethylpiperazin-1-yl)-N-(pyridin-4-ylmethyl)aniline
CID 99834710
4-(morpholin-4-ylmethyl)-N-(pyridin-4-ylmethyl)aniline
CID 961221
3-[3-(piperidin-1-ylmethyl)anilino]propane-1,2-diol
CID 168593426
1-chloro-3-[3-(piperidin-1-ylmethyl)anilino]propan-2-ol
CID 168636923

Frequently Asked Questions

What is the IUPAC name of N-(pyridin-4-ylmethyl)-3-(pyrrolidin-1-ylmethyl)aniline?
The IUPAC name of N-(pyridin-4-ylmethyl)-3-(pyrrolidin-1-ylmethyl)aniline (CID 43691841) is N-(pyridin-4-ylmethyl)-3-(pyrrolidin-1-ylmethyl)aniline.
What is the SMILES notation for N-(pyridin-4-ylmethyl)-3-(pyrrolidin-1-ylmethyl)aniline?
The canonical SMILES for N-(pyridin-4-ylmethyl)-3-(pyrrolidin-1-ylmethyl)aniline is c1cc(CN2CCCC2)cc(NCc2ccncc2)c1.
What is the InChIKey of N-(pyridin-4-ylmethyl)-3-(pyrrolidin-1-ylmethyl)aniline?
The InChIKey is IBSFIDBRVFTFTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3/c1-2-11-20(10-1)14-16-4-3-5-17(12-16)19-13-15-6-8-18-9-7-15/h3-9,12,19H,1-2,10-11,13-14H2.
What are the key properties of N-(pyridin-4-ylmethyl)-3-(pyrrolidin-1-ylmethyl)aniline?
N-(pyridin-4-ylmethyl)-3-(pyrrolidin-1-ylmethyl)aniline has a molecular weight of 267.38 g/mol, XLogP of 3.29, 5 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-(pyrrolidin-1-ylmethyl)aniline is sourced from PubChem (CID 43691841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).