6-(2-methoxyethoxy)-N-[[(2R,3S)-2-(1-methylimidazol-2-yl)oxan-3-yl]methyl]pyridin-3-amine

C18H26N4O3 — CID 154761375

IUPAC6-(2-methoxyethoxy)-N-[[(2R,3S)-2-(1-methylimidazol-2-yl)oxan-3-yl]methyl]pyridin-3-amine
SMILESCOCCOc1ccc(NC[C@@H]2CCCO[C@H]2c2nccn2C)cn1
InChIInChI=1S/C18H26N4O3/c1-22-8-7-19-18(22)17-14(4-3-9-25-17)12-20-15-5-6-16(21-13-15)24-11-10-23-2/h5-8,13-14,17,20H,3-4,9-12H2,1-2H3/t14-,17+/m0/s1
InChIKeyWGIBKYLAHXCKGR-WMLDXEAASA-N
MW346.43 g/mol
LogP2.42
Rot. Bonds8

About 6-(2-methoxyethoxy)-N-[[(2R,3S)-2-(1-methylimidazol-2-yl)oxan-3-yl]methyl]pyridin-3-amine

6-(2-methoxyethoxy)-N-[[(2R,3S)-2-(1-methylimidazol-2-yl)oxan-3-yl]methyl]pyridin-3-amine (PubChem CID 154761375) has the molecular formula C18H26N4O3 and a molecular weight of 346.43 g/mol. Its IUPAC name is 6-(2-methoxyethoxy)-N-[[(2R,3S)-2-(1-methylimidazol-2-yl)oxan-3-yl]methyl]pyridin-3-amine.

Molecular Properties

Compound Name6-(2-methoxyethoxy)-N-[[(2R,3S)-2-(1-methylimidazol-2-yl)oxan-3-yl]methyl]pyridin-3-amine
PubChem CID154761375
Molecular FormulaC18H26N4O3
Molecular Weight346.43 g/mol
Exact Mass346.20
IUPAC Name6-(2-methoxyethoxy)-N-[[(2R,3S)-2-(1-methylimidazol-2-yl)oxan-3-yl]methyl]pyridin-3-amine
SMILESCOCCOc1ccc(NC[C@@H]2CCCO[C@H]2c2nccn2C)cn1
InChIInChI=1S/C18H26N4O3/c1-22-8-7-19-18(22)17-14(4-3-9-25-17)12-20-15-5-6-16(21-13-15)24-11-10-23-2/h5-8,13-14,17,20H,3-4,9-12H2,1-2H3/t14-,17+/m0/s1
InChIKeyWGIBKYLAHXCKGR-WMLDXEAASA-N
XLogP2.42
TPSA70.43 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-(2-methoxyethoxy)-N-[[(2R,3S)-2-(1-methylimidazol-2-yl)oxan-3-yl]methyl]pyridin-3-amine?
The IUPAC name of 6-(2-methoxyethoxy)-N-[[(2R,3S)-2-(1-methylimidazol-2-yl)oxan-3-yl]methyl]pyridin-3-amine (CID 154761375) is 6-(2-methoxyethoxy)-N-[[(2R,3S)-2-(1-methylimidazol-2-yl)oxan-3-yl]methyl]pyridin-3-amine.
What is the SMILES notation for 6-(2-methoxyethoxy)-N-[[(2R,3S)-2-(1-methylimidazol-2-yl)oxan-3-yl]methyl]pyridin-3-amine?
The canonical SMILES for 6-(2-methoxyethoxy)-N-[[(2R,3S)-2-(1-methylimidazol-2-yl)oxan-3-yl]methyl]pyridin-3-amine is COCCOc1ccc(NC[C@@H]2CCCO[C@H]2c2nccn2C)cn1.
What is the InChIKey of 6-(2-methoxyethoxy)-N-[[(2R,3S)-2-(1-methylimidazol-2-yl)oxan-3-yl]methyl]pyridin-3-amine?
The InChIKey is WGIBKYLAHXCKGR-WMLDXEAASA-N. The full InChI is InChI=1S/C18H26N4O3/c1-22-8-7-19-18(22)17-14(4-3-9-25-17)12-20-15-5-6-16(21-13-15)24-11-10-23-2/h5-8,13-14,17,20H,3-4,9-12H2,1-2H3/t14-,17+/m0/s1.
What are the key properties of 6-(2-methoxyethoxy)-N-[[(2R,3S)-2-(1-methylimidazol-2-yl)oxan-3-yl]methyl]pyridin-3-amine?
6-(2-methoxyethoxy)-N-[[(2R,3S)-2-(1-methylimidazol-2-yl)oxan-3-yl]methyl]pyridin-3-amine has a molecular weight of 346.43 g/mol, XLogP of 2.42, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-methoxyethoxy)-N-[[(2R,3S)-2-(1-methylimidazol-2-yl)oxan-3-yl]methyl]pyridin-3-amine is sourced from PubChem (CID 154761375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).