N-[(3-methylphenyl)methyl]-6-pyrrolidin-1-ylpyridin-3-amine

C17H21N3 — CID 43689504

IUPACN-[(3-methylphenyl)methyl]-6-pyrrolidin-1-ylpyridin-3-amine
SMILESCc1cccc(CNc2ccc(N3CCCC3)nc2)c1
InChIInChI=1S/C17H21N3/c1-14-5-4-6-15(11-14)12-18-16-7-8-17(19-13-16)20-9-2-3-10-20/h4-8,11,13,18H,2-3,9-10,12H2,1H3
InChIKeyYYISBYDFIZIFEF-UHFFFAOYSA-N
MW267.38 g/mol
LogP3.60
Rot. Bonds4

About N-[(3-methylphenyl)methyl]-6-pyrrolidin-1-ylpyridin-3-amine

N-[(3-methylphenyl)methyl]-6-pyrrolidin-1-ylpyridin-3-amine (PubChem CID 43689504) has the molecular formula C17H21N3 and a molecular weight of 267.38 g/mol. Its IUPAC name is N-[(3-methylphenyl)methyl]-6-pyrrolidin-1-ylpyridin-3-amine.

Molecular Properties

Compound NameN-[(3-methylphenyl)methyl]-6-pyrrolidin-1-ylpyridin-3-amine
PubChem CID43689504
Molecular FormulaC17H21N3
Molecular Weight267.38 g/mol
Exact Mass267.17
IUPAC NameN-[(3-methylphenyl)methyl]-6-pyrrolidin-1-ylpyridin-3-amine
SMILESCc1cccc(CNc2ccc(N3CCCC3)nc2)c1
InChIInChI=1S/C17H21N3/c1-14-5-4-6-15(11-14)12-18-16-7-8-17(19-13-16)20-9-2-3-10-20/h4-8,11,13,18H,2-3,9-10,12H2,1H3
InChIKeyYYISBYDFIZIFEF-UHFFFAOYSA-N
XLogP3.60
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.38
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3-methylphenyl)methyl]-4-piperidin-1-ylaniline
CID 39380681
N-[(2,4-dimethylphenyl)methyl]-6-pyrrolidin-1-ylpyridin-3-amine
CID 43689488
N-[(6-methyl-3-pyridinyl)methyl]-6-pyrrolidin-1-ylpyridin-3-amine
CID 104739555
2-bromo-4-[[(6-pyrrolidin-1-yl-3-pyridinyl)amino]methyl]phenol
CID 63046580
N-ethyl-6-pyrrolidin-1-ylpyridin-3-amine
CID 43689606
N-[(1-ethylpyrazol-4-yl)methyl]-6-pyrrolidin-1-ylpyridin-3-amine
CID 103823647
N-[(5-bromothiophen-3-yl)methyl]-6-piperidin-1-ylpyridin-3-amine
CID 43690352
N-benzyl-6-morpholin-4-ylpyridin-3-amine
CID 43724757
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
N-[6-(4-formylpiperazin-1-yl)-3-pyridinyl]-2-(3-methylphenyl)acetamide
CID 113011160
5-[(6-pyrrolidin-1-yl-3-pyridinyl)methylamino]pyridine-2-carbonitrile
CID 133335271

Frequently Asked Questions

What is the IUPAC name of N-[(3-methylphenyl)methyl]-6-pyrrolidin-1-ylpyridin-3-amine?
The IUPAC name of N-[(3-methylphenyl)methyl]-6-pyrrolidin-1-ylpyridin-3-amine (CID 43689504) is N-[(3-methylphenyl)methyl]-6-pyrrolidin-1-ylpyridin-3-amine.
What is the SMILES notation for N-[(3-methylphenyl)methyl]-6-pyrrolidin-1-ylpyridin-3-amine?
The canonical SMILES for N-[(3-methylphenyl)methyl]-6-pyrrolidin-1-ylpyridin-3-amine is Cc1cccc(CNc2ccc(N3CCCC3)nc2)c1.
What is the InChIKey of N-[(3-methylphenyl)methyl]-6-pyrrolidin-1-ylpyridin-3-amine?
The InChIKey is YYISBYDFIZIFEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3/c1-14-5-4-6-15(11-14)12-18-16-7-8-17(19-13-16)20-9-2-3-10-20/h4-8,11,13,18H,2-3,9-10,12H2,1H3.
What are the key properties of N-[(3-methylphenyl)methyl]-6-pyrrolidin-1-ylpyridin-3-amine?
N-[(3-methylphenyl)methyl]-6-pyrrolidin-1-ylpyridin-3-amine has a molecular weight of 267.38 g/mol, XLogP of 3.60, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methylphenyl)methyl]-6-pyrrolidin-1-ylpyridin-3-amine is sourced from PubChem (CID 43689504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).