N,4-dimethyl-3-(6-methyl-5-pyrrolidin-1-yl-3-pyridinyl)aniline

C18H23N3 — CID 134379372

IUPACN,4-dimethyl-3-(6-methyl-5-pyrrolidin-1-yl-3-pyridinyl)aniline
SMILESCNc1ccc(C)c(-c2cnc(C)c(N3CCCC3)c2)c1
InChIInChI=1S/C18H23N3/c1-13-6-7-16(19-3)11-17(13)15-10-18(14(2)20-12-15)21-8-4-5-9-21/h6-7,10-12,19H,4-5,8-9H2,1-3H3
InChIKeyULHUIUCSYSVLOV-UHFFFAOYSA-N
MW281.40 g/mol
LogP4.01
Rot. Bonds3

About N,4-dimethyl-3-(6-methyl-5-pyrrolidin-1-yl-3-pyridinyl)aniline

N,4-dimethyl-3-(6-methyl-5-pyrrolidin-1-yl-3-pyridinyl)aniline (PubChem CID 134379372) has the molecular formula C18H23N3 and a molecular weight of 281.40 g/mol. Its IUPAC name is N,4-dimethyl-3-(6-methyl-5-pyrrolidin-1-yl-3-pyridinyl)aniline.

Molecular Properties

Compound NameN,4-dimethyl-3-(6-methyl-5-pyrrolidin-1-yl-3-pyridinyl)aniline
PubChem CID134379372
Molecular FormulaC18H23N3
Molecular Weight281.40 g/mol
Exact Mass281.19
IUPAC NameN,4-dimethyl-3-(6-methyl-5-pyrrolidin-1-yl-3-pyridinyl)aniline
SMILESCNc1ccc(C)c(-c2cnc(C)c(N3CCCC3)c2)c1
InChIInChI=1S/C18H23N3/c1-13-6-7-16(19-3)11-17(13)15-10-18(14(2)20-12-15)21-8-4-5-9-21/h6-7,10-12,19H,4-5,8-9H2,1-3H3
InChIKeyULHUIUCSYSVLOV-UHFFFAOYSA-N
XLogP4.01
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N,4-dimethyl-3-[6-[1-(methylamino)ethenyl]-5-piperidin-1-yl-3-pyridinyl]aniline
CID 134379767
5-(6-chloro-5-pyrrolidin-1-yl-3-pyridinyl)-N,6-dimethylpyridin-3-amine
CID 134379191
2,5-dimethyl-3-(6-methyl-5-piperidin-1-yl-3-pyridinyl)pyridine
CID 134379515
5-[6-(4-methoxybutan-2-yloxy)-5-piperidin-1-yl-3-pyridinyl]-N,6-dimethylpyridin-3-amine
CID 170396452
N,4-dimethyl-3-[6-(morpholin-4-ylmethyl)-3-pyridinyl]aniline
CID 143943044
3-chloro-N-methyl-4-pyrrolidin-1-ylaniline
CID 91677052
N-[4-methyl-3-[5-morpholin-4-yl-6-(oxan-4-yloxy)-3-pyridinyl]phenyl]pyrrolidine-1-carboxamide
CID 155700271
5-(methylamino)-2-pyrrolidin-1-ylbenzoic acid
CID 153184017
5-methyl-8-piperidin-1-ylquinoxaline
CID 129257471
N,4-dimethyl-3-(1-methylpyrazol-3-yl)aniline
CID 176940677
2-[2-methyl-5-(methylamino)phenyl]phenanthrene-9,10-dione
CID 58300940
1-[2-(2-methylphenyl)phenyl]pyrrolidine
CID 168513578

Frequently Asked Questions

What is the IUPAC name of N,4-dimethyl-3-(6-methyl-5-pyrrolidin-1-yl-3-pyridinyl)aniline?
The IUPAC name of N,4-dimethyl-3-(6-methyl-5-pyrrolidin-1-yl-3-pyridinyl)aniline (CID 134379372) is N,4-dimethyl-3-(6-methyl-5-pyrrolidin-1-yl-3-pyridinyl)aniline.
What is the SMILES notation for N,4-dimethyl-3-(6-methyl-5-pyrrolidin-1-yl-3-pyridinyl)aniline?
The canonical SMILES for N,4-dimethyl-3-(6-methyl-5-pyrrolidin-1-yl-3-pyridinyl)aniline is CNc1ccc(C)c(-c2cnc(C)c(N3CCCC3)c2)c1.
What is the InChIKey of N,4-dimethyl-3-(6-methyl-5-pyrrolidin-1-yl-3-pyridinyl)aniline?
The InChIKey is ULHUIUCSYSVLOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3/c1-13-6-7-16(19-3)11-17(13)15-10-18(14(2)20-12-15)21-8-4-5-9-21/h6-7,10-12,19H,4-5,8-9H2,1-3H3.
What are the key properties of N,4-dimethyl-3-(6-methyl-5-pyrrolidin-1-yl-3-pyridinyl)aniline?
N,4-dimethyl-3-(6-methyl-5-pyrrolidin-1-yl-3-pyridinyl)aniline has a molecular weight of 281.40 g/mol, XLogP of 4.01, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,4-dimethyl-3-(6-methyl-5-pyrrolidin-1-yl-3-pyridinyl)aniline is sourced from PubChem (CID 134379372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).