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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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).