N,N-dimethyl-3-[5-(pyrrolidin-1-ylmethyl)-2-pyridinyl]aniline

C18H23N3 — CID 74247167

IUPACN,N-dimethyl-3-[5-(pyrrolidin-1-ylmethyl)-2-pyridinyl]aniline
SMILESCN(C)c1cccc(-c2ccc(CN3CCCC3)cn2)c1
InChIInChI=1S/C18H23N3/c1-20(2)17-7-5-6-16(12-17)18-9-8-15(13-19-18)14-21-10-3-4-11-21/h5-9,12-13H,3-4,10-11,14H2,1-2H3
InChIKeyDPQGDTGOBHVYLN-UHFFFAOYSA-N
MW281.40 g/mol
LogP3.41
Rot. Bonds4

About N,N-dimethyl-3-[5-(pyrrolidin-1-ylmethyl)-2-pyridinyl]aniline

N,N-dimethyl-3-[5-(pyrrolidin-1-ylmethyl)-2-pyridinyl]aniline (PubChem CID 74247167) has the molecular formula C18H23N3 and a molecular weight of 281.40 g/mol. Its IUPAC name is N,N-dimethyl-3-[5-(pyrrolidin-1-ylmethyl)-2-pyridinyl]aniline.

Molecular Properties

Compound NameN,N-dimethyl-3-[5-(pyrrolidin-1-ylmethyl)-2-pyridinyl]aniline
PubChem CID74247167
Molecular FormulaC18H23N3
Molecular Weight281.40 g/mol
Exact Mass281.19
IUPAC NameN,N-dimethyl-3-[5-(pyrrolidin-1-ylmethyl)-2-pyridinyl]aniline
SMILESCN(C)c1cccc(-c2ccc(CN3CCCC3)cn2)c1
InChIInChI=1S/C18H23N3/c1-20(2)17-7-5-6-16(12-17)18-9-8-15(13-19-18)14-21-10-3-4-11-21/h5-9,12-13H,3-4,10-11,14H2,1-2H3
InChIKeyDPQGDTGOBHVYLN-UHFFFAOYSA-N
XLogP3.41
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-[5-(piperidin-1-ylmethyl)-2-pyridinyl]phenyl]acetic acid
CID 155919687
4-[[6-[3-[(1R)-1-pyrrolidin-1-ylethyl]phenyl]-3-pyridinyl]methyl]morpholine
CID 95123778
N-(2-imidazol-1-ylethyl)-N-methyl-3-[5-(pyrrolidin-1-ylmethyl)-2-pyridinyl]benzamide
CID 122572148
2-methyl-2-[4-[5-(pyrrolidin-1-ylmethyl)-2-pyridinyl]phenyl]propanenitrile
CID 74238216
2-[4-[(1S)-1-methoxyethyl]phenyl]-5-(piperidin-1-ylmethyl)pyridine
CID 95123067
N,N-dimethyl-3-(morpholin-4-ylmethyl)aniline
CID 58543772
5-chloro-2-methoxy-4-[5-(pyrrolidin-1-ylmethyl)-2-pyridinyl]pyridine
CID 74242847
2-tert-butyl-5-(piperidin-1-ylmethyl)pyridine
CID 71286312
5-(azepan-1-ylmethyl)-N-methylpyridin-2-amine
CID 62182145
5-[3-[3-(dimethylamino)phenyl]phenyl]-4-N-(3-piperidin-1-ylpropyl)pyrimidine-2,4-diamine
CID 68919880
4-[[6-[4-[(1R)-1-piperidin-1-ylethyl]phenyl]-3-pyridinyl]methyl]morpholine
CID 99944502
2-[3-(difluoromethyl)phenyl]-N-[5-(pyrrolidin-1-ylmethyl)-2-pyridinyl]quinoline-8-carboxamide
CID 58154754

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-3-[5-(pyrrolidin-1-ylmethyl)-2-pyridinyl]aniline?
The IUPAC name of N,N-dimethyl-3-[5-(pyrrolidin-1-ylmethyl)-2-pyridinyl]aniline (CID 74247167) is N,N-dimethyl-3-[5-(pyrrolidin-1-ylmethyl)-2-pyridinyl]aniline.
What is the SMILES notation for N,N-dimethyl-3-[5-(pyrrolidin-1-ylmethyl)-2-pyridinyl]aniline?
The canonical SMILES for N,N-dimethyl-3-[5-(pyrrolidin-1-ylmethyl)-2-pyridinyl]aniline is CN(C)c1cccc(-c2ccc(CN3CCCC3)cn2)c1.
What is the InChIKey of N,N-dimethyl-3-[5-(pyrrolidin-1-ylmethyl)-2-pyridinyl]aniline?
The InChIKey is DPQGDTGOBHVYLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3/c1-20(2)17-7-5-6-16(12-17)18-9-8-15(13-19-18)14-21-10-3-4-11-21/h5-9,12-13H,3-4,10-11,14H2,1-2H3.
What are the key properties of N,N-dimethyl-3-[5-(pyrrolidin-1-ylmethyl)-2-pyridinyl]aniline?
N,N-dimethyl-3-[5-(pyrrolidin-1-ylmethyl)-2-pyridinyl]aniline has a molecular weight of 281.40 g/mol, XLogP of 3.41, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-3-[5-(pyrrolidin-1-ylmethyl)-2-pyridinyl]aniline is sourced from PubChem (CID 74247167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).