N-[(2,4-dimethylphenyl)methyl]-6-pyrrolidin-1-ylpyridin-3-amine

C18H23N3 — CID 43689488

IUPACN-[(2,4-dimethylphenyl)methyl]-6-pyrrolidin-1-ylpyridin-3-amine
SMILESCc1ccc(CNc2ccc(N3CCCC3)nc2)c(C)c1
InChIInChI=1S/C18H23N3/c1-14-5-6-16(15(2)11-14)12-19-17-7-8-18(20-13-17)21-9-3-4-10-21/h5-8,11,13,19H,3-4,9-10,12H2,1-2H3
InChIKeyNNJRNVROYDBNLS-UHFFFAOYSA-N
MW281.40 g/mol
LogP3.91
Rot. Bonds4

About N-[(2,4-dimethylphenyl)methyl]-6-pyrrolidin-1-ylpyridin-3-amine

N-[(2,4-dimethylphenyl)methyl]-6-pyrrolidin-1-ylpyridin-3-amine (PubChem CID 43689488) has the molecular formula C18H23N3 and a molecular weight of 281.40 g/mol. Its IUPAC name is N-[(2,4-dimethylphenyl)methyl]-6-pyrrolidin-1-ylpyridin-3-amine.

Molecular Properties

Compound NameN-[(2,4-dimethylphenyl)methyl]-6-pyrrolidin-1-ylpyridin-3-amine
PubChem CID43689488
Molecular FormulaC18H23N3
Molecular Weight281.40 g/mol
Exact Mass281.19
IUPAC NameN-[(2,4-dimethylphenyl)methyl]-6-pyrrolidin-1-ylpyridin-3-amine
SMILESCc1ccc(CNc2ccc(N3CCCC3)nc2)c(C)c1
InChIInChI=1S/C18H23N3/c1-14-5-6-16(15(2)11-14)12-19-17-7-8-18(20-13-17)21-9-3-4-10-21/h5-8,11,13,19H,3-4,9-10,12H2,1-2H3
InChIKeyNNJRNVROYDBNLS-UHFFFAOYSA-N
XLogP3.91
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3-methylphenyl)methyl]-6-pyrrolidin-1-ylpyridin-3-amine
CID 43689504
N-[(2,4-dimethylphenyl)methyl]-6-piperidin-1-ylpyrimidin-4-amine
CID 133297567
N-ethyl-6-pyrrolidin-1-ylpyridin-3-amine
CID 43689606
N-[(6-methyl-3-pyridinyl)methyl]-6-pyrrolidin-1-ylpyridin-3-amine
CID 104739555
N-[(2-methylpyrimidin-4-yl)methyl]-6-pyrrolidin-1-ylpyridin-3-amine
CID 62748048
N-[(4-bromo-5-methylthiophen-2-yl)methyl]-6-pyrrolidin-1-ylpyridin-3-amine
CID 102832400
2,4-dimethyl-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]benzamide
CID 38528042
N-(2-methylbutyl)-6-pyrrolidin-1-ylpyridin-3-amine
CID 43689479
3-(2,4-dimethylphenyl)-N-(6-morpholin-4-yl-3-pyridinyl)propanamide
CID 16613280
2-(6-methyl-1-benzofuran-3-yl)-N-(6-pyrrolidin-1-yl-3-pyridinyl)acetamide
CID 38853710
N-[(2-methylpyrazol-3-yl)methyl]-6-piperidin-1-ylpyridin-3-amine
CID 43690355
2-[[5-[(2,4-dimethylphenyl)methylamino]-2-pyridinyl]oxy]ethanol
CID 109379933

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dimethylphenyl)methyl]-6-pyrrolidin-1-ylpyridin-3-amine?
The IUPAC name of N-[(2,4-dimethylphenyl)methyl]-6-pyrrolidin-1-ylpyridin-3-amine (CID 43689488) is N-[(2,4-dimethylphenyl)methyl]-6-pyrrolidin-1-ylpyridin-3-amine.
What is the SMILES notation for N-[(2,4-dimethylphenyl)methyl]-6-pyrrolidin-1-ylpyridin-3-amine?
The canonical SMILES for N-[(2,4-dimethylphenyl)methyl]-6-pyrrolidin-1-ylpyridin-3-amine is Cc1ccc(CNc2ccc(N3CCCC3)nc2)c(C)c1.
What is the InChIKey of N-[(2,4-dimethylphenyl)methyl]-6-pyrrolidin-1-ylpyridin-3-amine?
The InChIKey is NNJRNVROYDBNLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3/c1-14-5-6-16(15(2)11-14)12-19-17-7-8-18(20-13-17)21-9-3-4-10-21/h5-8,11,13,19H,3-4,9-10,12H2,1-2H3.
What are the key properties of N-[(2,4-dimethylphenyl)methyl]-6-pyrrolidin-1-ylpyridin-3-amine?
N-[(2,4-dimethylphenyl)methyl]-6-pyrrolidin-1-ylpyridin-3-amine has a molecular weight of 281.40 g/mol, XLogP of 3.91, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-dimethylphenyl)methyl]-6-pyrrolidin-1-ylpyridin-3-amine is sourced from PubChem (CID 43689488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).