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

C18H26N4O2 — CID 56835764

IUPAC6-[[(3S,4S)-4-[2-(furan-2-ylmethylamino)ethoxy]pyrrolidin-3-yl]methyl]-4-methylpyridin-2-amine
SMILESCc1cc(N)nc(C[C@H]2CNC[C@H]2OCCNCc2ccco2)c1
InChIInChI=1S/C18H26N4O2/c1-13-7-15(22-18(19)8-13)9-14-10-21-12-17(14)24-6-4-20-11-16-3-2-5-23-16/h2-3,5,7-8,14,17,20-21H,4,6,9-12H2,1H3,(H2,19,22)/t14-,17+/m0/s1
InChIKeyJGPWHIBNRITPFL-WMLDXEAASA-N
MW330.43 g/mol
LogP1.50
Rot. Bonds8

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

6-[[(3S,4S)-4-[2-(furan-2-ylmethylamino)ethoxy]pyrrolidin-3-yl]methyl]-4-methylpyridin-2-amine (PubChem CID 56835764) has the molecular formula C18H26N4O2 and a molecular weight of 330.43 g/mol. Its IUPAC name is 6-[[(3S,4S)-4-[2-(furan-2-ylmethylamino)ethoxy]pyrrolidin-3-yl]methyl]-4-methylpyridin-2-amine.

Molecular Properties

Compound Name6-[[(3S,4S)-4-[2-(furan-2-ylmethylamino)ethoxy]pyrrolidin-3-yl]methyl]-4-methylpyridin-2-amine
PubChem CID56835764
Molecular FormulaC18H26N4O2
Molecular Weight330.43 g/mol
Exact Mass330.21
IUPAC Name6-[[(3S,4S)-4-[2-(furan-2-ylmethylamino)ethoxy]pyrrolidin-3-yl]methyl]-4-methylpyridin-2-amine
SMILESCc1cc(N)nc(C[C@H]2CNC[C@H]2OCCNCc2ccco2)c1
InChIInChI=1S/C18H26N4O2/c1-13-7-15(22-18(19)8-13)9-14-10-21-12-17(14)24-6-4-20-11-16-3-2-5-23-16/h2-3,5,7-8,14,17,20-21H,4,6,9-12H2,1H3,(H2,19,22)/t14-,17+/m0/s1
InChIKeyJGPWHIBNRITPFL-WMLDXEAASA-N
XLogP1.50
TPSA85.34 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 51.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 6-[[(3S,4S)-4-[2-(furan-2-ylmethylamino)ethoxy]pyrrolidin-3-yl]methyl]-4-methylpyridin-2-amine with MolForge

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Related Compounds

1-ethyl-N-(furan-2-ylmethyl)-7-methyl-4-oxo-1,4-dihydro-1,8-naphthyridine-3-carboxamide
CID 859261
7-(2-furylmethyl)-3-isobutyl-5,6-diphenyl-3,7-dihydro-4H-pyrrolo[2,3-d]pyrimidin-4-imine
CID 1312356
6-(((3S,4S)/(3R,4R)-4-(2-(2-(3-Fluorophenoxy)ethylamino)ethoxy)pyrrolidin-3-yl)methyl)-4-methylpyridin-2-amine
CID 46880968
8-(Furan-2-yl)-3,3-dimethyl-6-(oxolan-2-ylmethylamino)-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile
CID 659439
N-(furan-2-ylmethyl)-7-methyl-4-oxo-1H-1,8-naphthyridine-3-carboxamide
CID 44403643
2-(Furan-2-ylmethyl)-1-(5,6,7,8-tetrahydroquinolin-2-yl)guanidine;hydrochloride
CID 118730515
1-[4-(Furan-2-yl)-5,6-dimethylpyrimidin-2-yl]-2-(3-pyrrolidin-1-ylpropyl)guanidine
CID 168298623
7-(Furan-2-ylmethyl)-3-(3-morpholin-4-ylpropyl)-5,6-diphenylpyrrolo[2,3-d]pyrimidin-4-imine
CID 2973487
N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-(furan-2-ylmethyl)-2,5-dimethylpyrrole-3-carboxamide
CID 56836781
6-(Furan-2-ylmethylamino)-3,3,8-trimethyl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile
CID 664448
6-((furan-2-ylmethyl)amino)-3,3-dimethyl-8-propyl-3,4-dihydro-1H-pyrano[3,4-c]pyridine-5-carbonitrile
CID 664838
N-[6-(furan-2-yl)-5-(5H-tetrazol-5-yl)-2-pyridinyl]cyclopropanecarboxamide
CID 46880374

Frequently Asked Questions

What is the IUPAC name of 6-[[(3S,4S)-4-[2-(furan-2-ylmethylamino)ethoxy]pyrrolidin-3-yl]methyl]-4-methylpyridin-2-amine?
The IUPAC name of 6-[[(3S,4S)-4-[2-(furan-2-ylmethylamino)ethoxy]pyrrolidin-3-yl]methyl]-4-methylpyridin-2-amine (CID 56835764) is 6-[[(3S,4S)-4-[2-(furan-2-ylmethylamino)ethoxy]pyrrolidin-3-yl]methyl]-4-methylpyridin-2-amine.
What is the SMILES notation for 6-[[(3S,4S)-4-[2-(furan-2-ylmethylamino)ethoxy]pyrrolidin-3-yl]methyl]-4-methylpyridin-2-amine?
The canonical SMILES for 6-[[(3S,4S)-4-[2-(furan-2-ylmethylamino)ethoxy]pyrrolidin-3-yl]methyl]-4-methylpyridin-2-amine is Cc1cc(N)nc(C[C@H]2CNC[C@H]2OCCNCc2ccco2)c1.
What is the InChIKey of 6-[[(3S,4S)-4-[2-(furan-2-ylmethylamino)ethoxy]pyrrolidin-3-yl]methyl]-4-methylpyridin-2-amine?
The InChIKey is JGPWHIBNRITPFL-WMLDXEAASA-N. The full InChI is InChI=1S/C18H26N4O2/c1-13-7-15(22-18(19)8-13)9-14-10-21-12-17(14)24-6-4-20-11-16-3-2-5-23-16/h2-3,5,7-8,14,17,20-21H,4,6,9-12H2,1H3,(H2,19,22)/t14-,17+/m0/s1.
What are the key properties of 6-[[(3S,4S)-4-[2-(furan-2-ylmethylamino)ethoxy]pyrrolidin-3-yl]methyl]-4-methylpyridin-2-amine?
6-[[(3S,4S)-4-[2-(furan-2-ylmethylamino)ethoxy]pyrrolidin-3-yl]methyl]-4-methylpyridin-2-amine has a molecular weight of 330.43 g/mol, XLogP of 1.50, 8 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-(furan-2-ylmethylamino)ethoxy]pyrrolidin-3-yl]methyl]-4-methylpyridin-2-amine is sourced from PubChem (CID 56835764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).