N,4-dimethyl-3-[6-[1-(methylamino)ethenyl]-5-piperidin-1-yl-3-pyridinyl]aniline

C21H28N4 — CID 134379767

IUPACN,4-dimethyl-3-[6-[1-(methylamino)ethenyl]-5-piperidin-1-yl-3-pyridinyl]aniline
SMILESC=C(NC)c1ncc(-c2cc(NC)ccc2C)cc1N1CCCCC1
InChIInChI=1S/C21H28N4/c1-15-8-9-18(23-4)13-19(15)17-12-20(25-10-6-5-7-11-25)21(24-14-17)16(2)22-3/h8-9,12-14,22-23H,2,5-7,10-11H2,1,3-4H3
InChIKeyGXEOGTXIKSHJHO-UHFFFAOYSA-N
MW336.48 g/mol
LogP4.28
Rot. Bonds5

About N,4-dimethyl-3-[6-[1-(methylamino)ethenyl]-5-piperidin-1-yl-3-pyridinyl]aniline

N,4-dimethyl-3-[6-[1-(methylamino)ethenyl]-5-piperidin-1-yl-3-pyridinyl]aniline (PubChem CID 134379767) has the molecular formula C21H28N4 and a molecular weight of 336.48 g/mol. Its IUPAC name is N,4-dimethyl-3-[6-[1-(methylamino)ethenyl]-5-piperidin-1-yl-3-pyridinyl]aniline.

Molecular Properties

Compound NameN,4-dimethyl-3-[6-[1-(methylamino)ethenyl]-5-piperidin-1-yl-3-pyridinyl]aniline
PubChem CID134379767
Molecular FormulaC21H28N4
Molecular Weight336.48 g/mol
Exact Mass336.23
IUPAC NameN,4-dimethyl-3-[6-[1-(methylamino)ethenyl]-5-piperidin-1-yl-3-pyridinyl]aniline
SMILESC=C(NC)c1ncc(-c2cc(NC)ccc2C)cc1N1CCCCC1
InChIInChI=1S/C21H28N4/c1-15-8-9-18(23-4)13-19(15)17-12-20(25-10-6-5-7-11-25)21(24-14-17)16(2)22-3/h8-9,12-14,22-23H,2,5-7,10-11H2,1,3-4H3
InChIKeyGXEOGTXIKSHJHO-UHFFFAOYSA-N
XLogP4.28
TPSA40.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.48
LogP ≤ 54.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N,4-dimethyl-3-(6-methyl-5-pyrrolidin-1-yl-3-pyridinyl)aniline
CID 134379372
5-(6-chloro-5-pyrrolidin-1-yl-3-pyridinyl)-N,6-dimethylpyridin-3-amine
CID 134379191
N,4-dimethyl-3-[6-(morpholin-4-ylmethyl)-3-pyridinyl]aniline
CID 143943044
N-[4-methyl-3-[5-morpholin-4-yl-6-(oxan-4-yloxy)-3-pyridinyl]phenyl]pyrrolidine-1-carboxamide
CID 155700271
3-chloro-N-methyl-4-pyrrolidin-1-ylaniline
CID 91677052
2,5-dimethyl-3-(6-methyl-5-piperidin-1-yl-3-pyridinyl)pyridine
CID 134379515
5-(methylamino)-2-pyrrolidin-1-ylbenzoic acid
CID 153184017
5-[6-(4-methoxybutan-2-yloxy)-5-piperidin-1-yl-3-pyridinyl]-N,6-dimethylpyridin-3-amine
CID 170396452
5-methyl-8-piperidin-1-ylquinoxaline
CID 129257471
N-[6-(azepan-1-yl)-3-pyridinyl]-4-methyl-3-(4-methylsulfanylphenyl)benzamide
CID 24775272
1-(3,4-dimethylphenyl)-3-(2-piperidin-1-ylpyrimidin-5-yl)urea
CID 122298482
2-fluoro-N-[3-[6-(2-hydroxyethoxy)-5-morpholin-4-yl-3-pyridinyl]-4-methylphenyl]pyridine-4-carboxamide
CID 130425724

Frequently Asked Questions

What is the IUPAC name of N,4-dimethyl-3-[6-[1-(methylamino)ethenyl]-5-piperidin-1-yl-3-pyridinyl]aniline?
The IUPAC name of N,4-dimethyl-3-[6-[1-(methylamino)ethenyl]-5-piperidin-1-yl-3-pyridinyl]aniline (CID 134379767) is N,4-dimethyl-3-[6-[1-(methylamino)ethenyl]-5-piperidin-1-yl-3-pyridinyl]aniline.
What is the SMILES notation for N,4-dimethyl-3-[6-[1-(methylamino)ethenyl]-5-piperidin-1-yl-3-pyridinyl]aniline?
The canonical SMILES for N,4-dimethyl-3-[6-[1-(methylamino)ethenyl]-5-piperidin-1-yl-3-pyridinyl]aniline is C=C(NC)c1ncc(-c2cc(NC)ccc2C)cc1N1CCCCC1.
What is the InChIKey of N,4-dimethyl-3-[6-[1-(methylamino)ethenyl]-5-piperidin-1-yl-3-pyridinyl]aniline?
The InChIKey is GXEOGTXIKSHJHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N4/c1-15-8-9-18(23-4)13-19(15)17-12-20(25-10-6-5-7-11-25)21(24-14-17)16(2)22-3/h8-9,12-14,22-23H,2,5-7,10-11H2,1,3-4H3.
What are the key properties of N,4-dimethyl-3-[6-[1-(methylamino)ethenyl]-5-piperidin-1-yl-3-pyridinyl]aniline?
N,4-dimethyl-3-[6-[1-(methylamino)ethenyl]-5-piperidin-1-yl-3-pyridinyl]aniline has a molecular weight of 336.48 g/mol, XLogP of 4.28, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,4-dimethyl-3-[6-[1-(methylamino)ethenyl]-5-piperidin-1-yl-3-pyridinyl]aniline is sourced from PubChem (CID 134379767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).