(1R)-N-[[6-methoxy-5-(6-methoxy-3-pyridinyl)-3-pyridinyl]methyl]-1-phenylethanamine

C21H23N3O2 — CID 45376359

IUPAC(1R)-N-[[6-methoxy-5-(6-methoxy-3-pyridinyl)-3-pyridinyl]methyl]-1-phenylethanamine
SMILESCOc1ccc(-c2cc(CN[C@H](C)c3ccccc3)cnc2OC)cn1
InChIInChI=1S/C21H23N3O2/c1-15(17-7-5-4-6-8-17)22-12-16-11-19(21(26-3)24-13-16)18-9-10-20(25-2)23-14-18/h4-11,13-15,22H,12H2,1-3H3/t15-/m1/s1
InChIKeyYGCKRYMCFBZFDY-OAHLLOKOSA-N
MW349.43 g/mol
LogP4.01
Rot. Bonds7

About (1R)-N-[[6-methoxy-5-(6-methoxy-3-pyridinyl)-3-pyridinyl]methyl]-1-phenylethanamine

(1R)-N-[[6-methoxy-5-(6-methoxy-3-pyridinyl)-3-pyridinyl]methyl]-1-phenylethanamine (PubChem CID 45376359) has the molecular formula C21H23N3O2 and a molecular weight of 349.43 g/mol. Its IUPAC name is (1R)-N-[[6-methoxy-5-(6-methoxy-3-pyridinyl)-3-pyridinyl]methyl]-1-phenylethanamine.

Molecular Properties

Compound Name(1R)-N-[[6-methoxy-5-(6-methoxy-3-pyridinyl)-3-pyridinyl]methyl]-1-phenylethanamine
PubChem CID45376359
Molecular FormulaC21H23N3O2
Molecular Weight349.43 g/mol
Exact Mass349.18
IUPAC Name(1R)-N-[[6-methoxy-5-(6-methoxy-3-pyridinyl)-3-pyridinyl]methyl]-1-phenylethanamine
SMILESCOc1ccc(-c2cc(CN[C@H](C)c3ccccc3)cnc2OC)cn1
InChIInChI=1S/C21H23N3O2/c1-15(17-7-5-4-6-8-17)22-12-16-11-19(21(26-3)24-13-16)18-9-10-20(25-2)23-14-18/h4-11,13-15,22H,12H2,1-3H3/t15-/m1/s1
InChIKeyYGCKRYMCFBZFDY-OAHLLOKOSA-N
XLogP4.01
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.43
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (1R)-N-[[6-methoxy-5-(6-methoxy-3-pyridinyl)-3-pyridinyl]methyl]-1-phenylethanamine?
The IUPAC name of (1R)-N-[[6-methoxy-5-(6-methoxy-3-pyridinyl)-3-pyridinyl]methyl]-1-phenylethanamine (CID 45376359) is (1R)-N-[[6-methoxy-5-(6-methoxy-3-pyridinyl)-3-pyridinyl]methyl]-1-phenylethanamine.
What is the SMILES notation for (1R)-N-[[6-methoxy-5-(6-methoxy-3-pyridinyl)-3-pyridinyl]methyl]-1-phenylethanamine?
The canonical SMILES for (1R)-N-[[6-methoxy-5-(6-methoxy-3-pyridinyl)-3-pyridinyl]methyl]-1-phenylethanamine is COc1ccc(-c2cc(CN[C@H](C)c3ccccc3)cnc2OC)cn1.
What is the InChIKey of (1R)-N-[[6-methoxy-5-(6-methoxy-3-pyridinyl)-3-pyridinyl]methyl]-1-phenylethanamine?
The InChIKey is YGCKRYMCFBZFDY-OAHLLOKOSA-N. The full InChI is InChI=1S/C21H23N3O2/c1-15(17-7-5-4-6-8-17)22-12-16-11-19(21(26-3)24-13-16)18-9-10-20(25-2)23-14-18/h4-11,13-15,22H,12H2,1-3H3/t15-/m1/s1.
What are the key properties of (1R)-N-[[6-methoxy-5-(6-methoxy-3-pyridinyl)-3-pyridinyl]methyl]-1-phenylethanamine?
(1R)-N-[[6-methoxy-5-(6-methoxy-3-pyridinyl)-3-pyridinyl]methyl]-1-phenylethanamine has a molecular weight of 349.43 g/mol, XLogP of 4.01, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-N-[[6-methoxy-5-(6-methoxy-3-pyridinyl)-3-pyridinyl]methyl]-1-phenylethanamine is sourced from PubChem (CID 45376359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).