6-[(2S)-1-cyclohexylpyrrolidin-2-yl]-N-[(4-methoxyphenyl)methyl]pyridin-2-amine

C23H31N3O — CID 124980413

IUPAC6-[(2S)-1-cyclohexylpyrrolidin-2-yl]-N-[(4-methoxyphenyl)methyl]pyridin-2-amine
SMILESCOc1ccc(CNc2cccc([C@@H]3CCCN3C3CCCCC3)n2)cc1
InChIInChI=1S/C23H31N3O/c1-27-20-14-12-18(13-15-20)17-24-23-11-5-9-21(25-23)22-10-6-16-26(22)19-7-3-2-4-8-19/h5,9,11-15,19,22H,2-4,6-8,10,16-17H2,1H3,(H,24,25)/t22-/m0/s1
InChIKeyMIPXGYSJLTVNAL-QFIPXVFZSA-N
MW365.52 g/mol
LogP5.17
Rot. Bonds6

About 6-[(2S)-1-cyclohexylpyrrolidin-2-yl]-N-[(4-methoxyphenyl)methyl]pyridin-2-amine

6-[(2S)-1-cyclohexylpyrrolidin-2-yl]-N-[(4-methoxyphenyl)methyl]pyridin-2-amine (PubChem CID 124980413) has the molecular formula C23H31N3O and a molecular weight of 365.52 g/mol. Its IUPAC name is 6-[(2S)-1-cyclohexylpyrrolidin-2-yl]-N-[(4-methoxyphenyl)methyl]pyridin-2-amine.

Molecular Properties

Compound Name6-[(2S)-1-cyclohexylpyrrolidin-2-yl]-N-[(4-methoxyphenyl)methyl]pyridin-2-amine
PubChem CID124980413
Molecular FormulaC23H31N3O
Molecular Weight365.52 g/mol
Exact Mass365.25
IUPAC Name6-[(2S)-1-cyclohexylpyrrolidin-2-yl]-N-[(4-methoxyphenyl)methyl]pyridin-2-amine
SMILESCOc1ccc(CNc2cccc([C@@H]3CCCN3C3CCCCC3)n2)cc1
InChIInChI=1S/C23H31N3O/c1-27-20-14-12-18(13-15-20)17-24-23-11-5-9-21(25-23)22-10-6-16-26(22)19-7-3-2-4-8-19/h5,9,11-15,19,22H,2-4,6-8,10,16-17H2,1H3,(H,24,25)/t22-/m0/s1
InChIKeyMIPXGYSJLTVNAL-QFIPXVFZSA-N
XLogP5.17
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.52
LogP ≤ 55.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-[(2R)-1-cyclohexylpyrrolidin-2-yl]-N-[2-(4-methoxyphenoxy)ethyl]pyridin-2-amine
CID 124953976
(3R,8aR)-3-(4-methoxyphenyl)-1,2,3,5,6,7,8,8a-octahydroindolizine
CID 59036125
6-[(2R)-1-cyclopentylpyrrolidin-2-yl]-N-methylpyridine-2-carboxamide
CID 124947086
1-[4-[(2R)-2-[6-[(3-methoxyphenyl)methyl]-2-pyridinyl]pyrrolidin-1-yl]piperidin-1-yl]ethanone
CID 95818430
N-[(4-methoxyphenyl)methyl]cycloheptanamine
CID 784052
2-N-cyclohexyl-6-N-[(4-methoxyphenyl)methyl]-4-N-phenyl-1,3,5-triazine-2,4,6-triamine
CID 11014968
4-N-cyclopentyl-6-N-[(4-methoxyphenyl)methyl]-2-phenylpyrimidine-4,6-diamine
CID 112880055
5-N-cyclohexyl-3-N-[(4-methoxyphenyl)methyl]-1,2,4-triazine-3,5-diamine
CID 112942210
N'-cyclohexyl-N-[(4-methoxyphenyl)methyl]ethane-1,2-diamine
CID 54810069
2-N-cyclohexyl-6-N-[(4-methoxyphenyl)methyl]-4-N-(pyridin-4-ylmethyl)-1,3,5-triazine-2,4,6-triamine
CID 10971832
1-[(2S)-2-[6-[(4,6-dimethylpyrimidin-2-yl)amino]-2-pyridinyl]pyrrolidin-1-yl]-2-(3-methoxyphenyl)ethanone
CID 95835184
1-[(4-methoxyphenyl)methyl]-3-[4-[[2-(6-methyl-2-pyridinyl)pyrrolidin-1-yl]methyl]phenyl]urea
CID 166706458

Frequently Asked Questions

What is the IUPAC name of 6-[(2S)-1-cyclohexylpyrrolidin-2-yl]-N-[(4-methoxyphenyl)methyl]pyridin-2-amine?
The IUPAC name of 6-[(2S)-1-cyclohexylpyrrolidin-2-yl]-N-[(4-methoxyphenyl)methyl]pyridin-2-amine (CID 124980413) is 6-[(2S)-1-cyclohexylpyrrolidin-2-yl]-N-[(4-methoxyphenyl)methyl]pyridin-2-amine.
What is the SMILES notation for 6-[(2S)-1-cyclohexylpyrrolidin-2-yl]-N-[(4-methoxyphenyl)methyl]pyridin-2-amine?
The canonical SMILES for 6-[(2S)-1-cyclohexylpyrrolidin-2-yl]-N-[(4-methoxyphenyl)methyl]pyridin-2-amine is COc1ccc(CNc2cccc([C@@H]3CCCN3C3CCCCC3)n2)cc1.
What is the InChIKey of 6-[(2S)-1-cyclohexylpyrrolidin-2-yl]-N-[(4-methoxyphenyl)methyl]pyridin-2-amine?
The InChIKey is MIPXGYSJLTVNAL-QFIPXVFZSA-N. The full InChI is InChI=1S/C23H31N3O/c1-27-20-14-12-18(13-15-20)17-24-23-11-5-9-21(25-23)22-10-6-16-26(22)19-7-3-2-4-8-19/h5,9,11-15,19,22H,2-4,6-8,10,16-17H2,1H3,(H,24,25)/t22-/m0/s1.
What are the key properties of 6-[(2S)-1-cyclohexylpyrrolidin-2-yl]-N-[(4-methoxyphenyl)methyl]pyridin-2-amine?
6-[(2S)-1-cyclohexylpyrrolidin-2-yl]-N-[(4-methoxyphenyl)methyl]pyridin-2-amine has a molecular weight of 365.52 g/mol, XLogP of 5.17, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2S)-1-cyclohexylpyrrolidin-2-yl]-N-[(4-methoxyphenyl)methyl]pyridin-2-amine is sourced from PubChem (CID 124980413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).