N-[(3S)-3-(methoxymethyl)-3-(2-phenylethyl)pyrrolidin-1-yl]-6-methylpyridin-3-amine

C20H27N3O — CID 172512409

IUPACN-[(3S)-3-(methoxymethyl)-3-(2-phenylethyl)pyrrolidin-1-yl]-6-methylpyridin-3-amine
SMILESCOC[C@@]1(CCc2ccccc2)CCN(Nc2ccc(C)nc2)C1
InChIInChI=1S/C20H27N3O/c1-17-8-9-19(14-21-17)22-23-13-12-20(15-23,16-24-2)11-10-18-6-4-3-5-7-18/h3-9,14,22H,10-13,15-16H2,1-2H3/t20-/m0/s1
InChIKeyKZIKJVIEAOAARN-FQEVSTJZSA-N
MW325.46 g/mol
LogP3.69
Rot. Bonds7

About N-[(3S)-3-(methoxymethyl)-3-(2-phenylethyl)pyrrolidin-1-yl]-6-methylpyridin-3-amine

N-[(3S)-3-(methoxymethyl)-3-(2-phenylethyl)pyrrolidin-1-yl]-6-methylpyridin-3-amine (PubChem CID 172512409) has the molecular formula C20H27N3O and a molecular weight of 325.46 g/mol. Its IUPAC name is N-[(3S)-3-(methoxymethyl)-3-(2-phenylethyl)pyrrolidin-1-yl]-6-methylpyridin-3-amine.

Molecular Properties

Compound NameN-[(3S)-3-(methoxymethyl)-3-(2-phenylethyl)pyrrolidin-1-yl]-6-methylpyridin-3-amine
PubChem CID172512409
Molecular FormulaC20H27N3O
Molecular Weight325.46 g/mol
Exact Mass325.22
IUPAC NameN-[(3S)-3-(methoxymethyl)-3-(2-phenylethyl)pyrrolidin-1-yl]-6-methylpyridin-3-amine
SMILESCOC[C@@]1(CCc2ccccc2)CCN(Nc2ccc(C)nc2)C1
InChIInChI=1S/C20H27N3O/c1-17-8-9-19(14-21-17)22-23-13-12-20(15-23,16-24-2)11-10-18-6-4-3-5-7-18/h3-9,14,22H,10-13,15-16H2,1-2H3/t20-/m0/s1
InChIKeyKZIKJVIEAOAARN-FQEVSTJZSA-N
XLogP3.69
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.46
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[(3S)-1-[(6-methyl-3-pyridinyl)amino]-3-(2-phenylethyl)pyrrolidin-3-yl]methanol
CID 172512423
N-[3-(ethoxymethyl)-3-[2-(4-fluorophenyl)ethyl]pyrrolidin-1-yl]pyridin-3-amine
CID 162430318
5-[2-[3-(ethoxymethyl)-3-(2-phenylethyl)pyrrolidin-1-yl]propan-2-yl]-2-methylpyridine
CID 135322558
N-[(3R)-3-(ethoxymethyl)-3-(2-phenylethyl)pyrrolidin-1-yl]-N,6-dimethylpyridin-3-amine
CID 172512555
5-[2-[(3S)-3-(methoxymethyl)-3-[2-(5-methylthiophen-3-yl)ethyl]pyrrolidin-1-yl]propan-2-yl]-2-methylpyridine
CID 166506655
[1-(3,6-dimethylpyrazin-2-yl)-4-(2-phenylethyl)piperidin-4-yl]methanol
CID 56747896
N-[4-[[(3S)-3-(ethoxymethyl)-3-(2-phenylethyl)pyrrolidin-1-yl]methyl]phenyl]acetamide
CID 135322598
3-[[(3S)-3-(ethoxymethyl)-3-[2-(4-methylphenyl)ethyl]pyrrolidin-1-yl]methyl]pyridine
CID 166506565
1-benzyl-3-(methoxymethyl)-3-(methylperoxymethyl)pyrrolidine
CID 88891908
3-[[3-[2-(4-chlorophenyl)ethyl]-3-(ethoxymethyl)pyrrolidin-1-yl]methyl]pyridine
CID 135322793
4-[2-[(3R)-1-[2-(6-methyl-3-pyridinyl)propan-2-yl]-3-(2,2,2-trifluoroethoxymethyl)pyrrolidin-3-yl]ethyl]benzonitrile
CID 172512404
5-[1-[(3S)-3-(ethoxymethyl)-3-(2-thiophen-2-ylethyl)pyrrolidin-1-yl]cyclopropyl]-2-methylpyridine
CID 135330031

Frequently Asked Questions

What is the IUPAC name of N-[(3S)-3-(methoxymethyl)-3-(2-phenylethyl)pyrrolidin-1-yl]-6-methylpyridin-3-amine?
The IUPAC name of N-[(3S)-3-(methoxymethyl)-3-(2-phenylethyl)pyrrolidin-1-yl]-6-methylpyridin-3-amine (CID 172512409) is N-[(3S)-3-(methoxymethyl)-3-(2-phenylethyl)pyrrolidin-1-yl]-6-methylpyridin-3-amine.
What is the SMILES notation for N-[(3S)-3-(methoxymethyl)-3-(2-phenylethyl)pyrrolidin-1-yl]-6-methylpyridin-3-amine?
The canonical SMILES for N-[(3S)-3-(methoxymethyl)-3-(2-phenylethyl)pyrrolidin-1-yl]-6-methylpyridin-3-amine is COC[C@@]1(CCc2ccccc2)CCN(Nc2ccc(C)nc2)C1.
What is the InChIKey of N-[(3S)-3-(methoxymethyl)-3-(2-phenylethyl)pyrrolidin-1-yl]-6-methylpyridin-3-amine?
The InChIKey is KZIKJVIEAOAARN-FQEVSTJZSA-N. The full InChI is InChI=1S/C20H27N3O/c1-17-8-9-19(14-21-17)22-23-13-12-20(15-23,16-24-2)11-10-18-6-4-3-5-7-18/h3-9,14,22H,10-13,15-16H2,1-2H3/t20-/m0/s1.
What are the key properties of N-[(3S)-3-(methoxymethyl)-3-(2-phenylethyl)pyrrolidin-1-yl]-6-methylpyridin-3-amine?
N-[(3S)-3-(methoxymethyl)-3-(2-phenylethyl)pyrrolidin-1-yl]-6-methylpyridin-3-amine has a molecular weight of 325.46 g/mol, XLogP of 3.69, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-3-(methoxymethyl)-3-(2-phenylethyl)pyrrolidin-1-yl]-6-methylpyridin-3-amine is sourced from PubChem (CID 172512409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).