6-[[(3S,4S)-4-[2-[(2-methoxyphenyl)methylamino]ethoxy]pyrrolidin-3-yl]methyl]-4-methylpyridin-2-amine

C21H30N4O2 — CID 56835762

IUPAC6-[[(3S,4S)-4-[2-[(2-methoxyphenyl)methylamino]ethoxy]pyrrolidin-3-yl]methyl]-4-methylpyridin-2-amine
SMILESCOc1ccccc1CNCCO[C@@H]1CNC[C@@H]1Cc1cc(C)cc(N)n1
InChIInChI=1S/C21H30N4O2/c1-15-9-18(25-21(22)10-15)11-17-13-24-14-20(17)27-8-7-23-12-16-5-3-4-6-19(16)26-2/h3-6,9-10,17,20,23-24H,7-8,11-14H2,1-2H3,(H2,22,25)/t17-,20+/m0/s1
InChIKeyCNZPKQOAIMARQF-FXAWDEMLSA-N
MW370.50 g/mol
LogP1.92
Rot. Bonds9

About 6-[[(3S,4S)-4-[2-[(2-methoxyphenyl)methylamino]ethoxy]pyrrolidin-3-yl]methyl]-4-methylpyridin-2-amine

6-[[(3S,4S)-4-[2-[(2-methoxyphenyl)methylamino]ethoxy]pyrrolidin-3-yl]methyl]-4-methylpyridin-2-amine (PubChem CID 56835762) has the molecular formula C21H30N4O2 and a molecular weight of 370.50 g/mol. Its IUPAC name is 6-[[(3S,4S)-4-[2-[(2-methoxyphenyl)methylamino]ethoxy]pyrrolidin-3-yl]methyl]-4-methylpyridin-2-amine.

Molecular Properties

Compound Name6-[[(3S,4S)-4-[2-[(2-methoxyphenyl)methylamino]ethoxy]pyrrolidin-3-yl]methyl]-4-methylpyridin-2-amine
PubChem CID56835762
Molecular FormulaC21H30N4O2
Molecular Weight370.50 g/mol
Exact Mass370.24
IUPAC Name6-[[(3S,4S)-4-[2-[(2-methoxyphenyl)methylamino]ethoxy]pyrrolidin-3-yl]methyl]-4-methylpyridin-2-amine
SMILESCOc1ccccc1CNCCO[C@@H]1CNC[C@@H]1Cc1cc(C)cc(N)n1
InChIInChI=1S/C21H30N4O2/c1-15-9-18(25-21(22)10-15)11-17-13-24-14-20(17)27-8-7-23-12-16-5-3-4-6-19(16)26-2/h3-6,9-10,17,20,23-24H,7-8,11-14H2,1-2H3,(H2,22,25)/t17-,20+/m0/s1
InChIKeyCNZPKQOAIMARQF-FXAWDEMLSA-N
XLogP1.92
TPSA81.43 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.50
LogP ≤ 51.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-({[2-({(3s,4s)-4-[(6-Amino-4-Methylpyridin-2-Yl)methyl]pyrrolidin-3-Yl}oxy)ethyl]amino}methyl)phenol
CID 56835763
6-{[3-(3-Aminopropoxy)phenoxy]methyl}-4-Methylpyridin-2-Amine
CID 71627411
4-Methyl-6-{[3-(Piperidin-4-Ylmethoxy)phenoxy]methyl}pyridin-2-Amine
CID 71627412
6-{[3-({[2-(3-Fluorophenyl)ethyl]amino}methyl)phenoxy]methyl}-4-Methylpyridin-2-Amine
CID 71627413
6-[4-(2-Dimethylamino-ethoxy)-5-ethyl-2-methoxy-phenyl]-pyridin-2-ylamine
CID 9818336
6-[4-(3-Dimethylamino-propyl)-2,5-dimethoxy-phenyl]-pyridin-2-ylamine
CID 44393639
6-[4-(2-Dimethylamino-ethyl)-2,5-dimethoxy-phenyl]-pyridin-2-ylamine
CID 44393666
6-(4-Dimethylaminomethyl-2,5-dimethoxy-phenyl)-pyridin-2-ylamine
CID 44393711
2-[5-Methoxy-6-[(4-methoxyphenyl)methyl]-2-pyridinyl]-1-phenylguanidine
CID 44533055
6-(((3S,4S)/(3R,4R)-4-(2-(2-(3-Fluorophenoxy)ethylamino)ethoxy)pyrrolidin-3-yl)methyl)-4-methylpyridin-2-amine
CID 46880968
6-{[(3R,4R)-4-(3-phenoxyphenoxy)pyrrolidin-3-yl]methyl}pyridin-2-amine
CID 46846307
6({[(2R,4S)4{[(6amino4methylpyridin2 yl)oxy]methyl}pyrrolidin2yl]methoxy}methyl)4 methylpyridin2amine ((2R,4S)-6)
CID 86767079

Frequently Asked Questions

What is the IUPAC name of 6-[[(3S,4S)-4-[2-[(2-methoxyphenyl)methylamino]ethoxy]pyrrolidin-3-yl]methyl]-4-methylpyridin-2-amine?
The IUPAC name of 6-[[(3S,4S)-4-[2-[(2-methoxyphenyl)methylamino]ethoxy]pyrrolidin-3-yl]methyl]-4-methylpyridin-2-amine (CID 56835762) is 6-[[(3S,4S)-4-[2-[(2-methoxyphenyl)methylamino]ethoxy]pyrrolidin-3-yl]methyl]-4-methylpyridin-2-amine.
What is the SMILES notation for 6-[[(3S,4S)-4-[2-[(2-methoxyphenyl)methylamino]ethoxy]pyrrolidin-3-yl]methyl]-4-methylpyridin-2-amine?
The canonical SMILES for 6-[[(3S,4S)-4-[2-[(2-methoxyphenyl)methylamino]ethoxy]pyrrolidin-3-yl]methyl]-4-methylpyridin-2-amine is COc1ccccc1CNCCO[C@@H]1CNC[C@@H]1Cc1cc(C)cc(N)n1.
What is the InChIKey of 6-[[(3S,4S)-4-[2-[(2-methoxyphenyl)methylamino]ethoxy]pyrrolidin-3-yl]methyl]-4-methylpyridin-2-amine?
The InChIKey is CNZPKQOAIMARQF-FXAWDEMLSA-N. The full InChI is InChI=1S/C21H30N4O2/c1-15-9-18(25-21(22)10-15)11-17-13-24-14-20(17)27-8-7-23-12-16-5-3-4-6-19(16)26-2/h3-6,9-10,17,20,23-24H,7-8,11-14H2,1-2H3,(H2,22,25)/t17-,20+/m0/s1.
What are the key properties of 6-[[(3S,4S)-4-[2-[(2-methoxyphenyl)methylamino]ethoxy]pyrrolidin-3-yl]methyl]-4-methylpyridin-2-amine?
6-[[(3S,4S)-4-[2-[(2-methoxyphenyl)methylamino]ethoxy]pyrrolidin-3-yl]methyl]-4-methylpyridin-2-amine has a molecular weight of 370.50 g/mol, XLogP of 1.92, 9 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[(3S,4S)-4-[2-[(2-methoxyphenyl)methylamino]ethoxy]pyrrolidin-3-yl]methyl]-4-methylpyridin-2-amine is sourced from PubChem (CID 56835762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).