[(3S)-1-[(6-methyl-3-pyridinyl)amino]-3-(2-phenylethyl)pyrrolidin-3-yl]methanol

C19H25N3O — CID 172512423

IUPAC[(3S)-1-[(6-methyl-3-pyridinyl)amino]-3-(2-phenylethyl)pyrrolidin-3-yl]methanol
SMILESCc1ccc(NN2CC[C@@](CO)(CCc3ccccc3)C2)cn1
InChIInChI=1S/C19H25N3O/c1-16-7-8-18(13-20-16)21-22-12-11-19(14-22,15-23)10-9-17-5-3-2-4-6-17/h2-8,13,21,23H,9-12,14-15H2,1H3/t19-/m0/s1
InChIKeyIADMAQOWEHEZCZ-IBGZPJMESA-N
MW311.43 g/mol
LogP3.03
Rot. Bonds6

About [(3S)-1-[(6-methyl-3-pyridinyl)amino]-3-(2-phenylethyl)pyrrolidin-3-yl]methanol

[(3S)-1-[(6-methyl-3-pyridinyl)amino]-3-(2-phenylethyl)pyrrolidin-3-yl]methanol (PubChem CID 172512423) has the molecular formula C19H25N3O and a molecular weight of 311.43 g/mol. Its IUPAC name is [(3S)-1-[(6-methyl-3-pyridinyl)amino]-3-(2-phenylethyl)pyrrolidin-3-yl]methanol.

Molecular Properties

Compound Name[(3S)-1-[(6-methyl-3-pyridinyl)amino]-3-(2-phenylethyl)pyrrolidin-3-yl]methanol
PubChem CID172512423
Molecular FormulaC19H25N3O
Molecular Weight311.43 g/mol
Exact Mass311.20
IUPAC Name[(3S)-1-[(6-methyl-3-pyridinyl)amino]-3-(2-phenylethyl)pyrrolidin-3-yl]methanol
SMILESCc1ccc(NN2CC[C@@](CO)(CCc3ccccc3)C2)cn1
InChIInChI=1S/C19H25N3O/c1-16-7-8-18(13-20-16)21-22-12-11-19(14-22,15-23)10-9-17-5-3-2-4-6-17/h2-8,13,21,23H,9-12,14-15H2,1H3/t19-/m0/s1
InChIKeyIADMAQOWEHEZCZ-IBGZPJMESA-N
XLogP3.03
TPSA48.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.43
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3S)-3-(methoxymethyl)-3-(2-phenylethyl)pyrrolidin-1-yl]-6-methylpyridin-3-amine
CID 172512409
[1-(3,6-dimethylpyrazin-2-yl)-4-(2-phenylethyl)piperidin-4-yl]methanol
CID 56747896
N-[3-(ethoxymethyl)-3-[2-(4-fluorophenyl)ethyl]pyrrolidin-1-yl]pyridin-3-amine
CID 162430318
[(3S)-1-[(2-methyl-1,3-thiazol-5-yl)methyl]-3-(2-phenylethyl)piperidin-3-yl]methanol
CID 26405340
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
[1-(2-phenylethyl)cyclobutyl]methanol
CID 58979662
4-[2-[3-(hydroxymethyl)-1-[2-(6-methyl-3-pyridinyl)propan-2-yl]pyrrolidin-3-yl]ethyl]-1H-pyridin-2-one
CID 135322991
[(3R)-1-[(2-butyl-1H-imidazol-5-yl)methyl]-3-(2-phenylethyl)piperidin-3-yl]methanol
CID 25274405
[1-(oxan-4-yl)-3-(2-phenylethyl)piperidin-3-yl]methanol
CID 45171513
N-[3-[4-(hydroxymethyl)-4-(2-phenylethyl)piperidin-1-yl]sulfonylphenyl]acetamide
CID 26332613
[(3R)-3-(hydroxymethyl)-3-(2-phenylethyl)piperidin-1-yl]-(4-methylthiadiazol-5-yl)methanone
CID 25305670

Frequently Asked Questions

What is the IUPAC name of [(3S)-1-[(6-methyl-3-pyridinyl)amino]-3-(2-phenylethyl)pyrrolidin-3-yl]methanol?
The IUPAC name of [(3S)-1-[(6-methyl-3-pyridinyl)amino]-3-(2-phenylethyl)pyrrolidin-3-yl]methanol (CID 172512423) is [(3S)-1-[(6-methyl-3-pyridinyl)amino]-3-(2-phenylethyl)pyrrolidin-3-yl]methanol.
What is the SMILES notation for [(3S)-1-[(6-methyl-3-pyridinyl)amino]-3-(2-phenylethyl)pyrrolidin-3-yl]methanol?
The canonical SMILES for [(3S)-1-[(6-methyl-3-pyridinyl)amino]-3-(2-phenylethyl)pyrrolidin-3-yl]methanol is Cc1ccc(NN2CC[C@@](CO)(CCc3ccccc3)C2)cn1.
What is the InChIKey of [(3S)-1-[(6-methyl-3-pyridinyl)amino]-3-(2-phenylethyl)pyrrolidin-3-yl]methanol?
The InChIKey is IADMAQOWEHEZCZ-IBGZPJMESA-N. The full InChI is InChI=1S/C19H25N3O/c1-16-7-8-18(13-20-16)21-22-12-11-19(14-22,15-23)10-9-17-5-3-2-4-6-17/h2-8,13,21,23H,9-12,14-15H2,1H3/t19-/m0/s1.
What are the key properties of [(3S)-1-[(6-methyl-3-pyridinyl)amino]-3-(2-phenylethyl)pyrrolidin-3-yl]methanol?
[(3S)-1-[(6-methyl-3-pyridinyl)amino]-3-(2-phenylethyl)pyrrolidin-3-yl]methanol has a molecular weight of 311.43 g/mol, XLogP of 3.03, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-1-[(6-methyl-3-pyridinyl)amino]-3-(2-phenylethyl)pyrrolidin-3-yl]methanol is sourced from PubChem (CID 172512423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).