3-N-[[3-(5-methoxy-3-pyridinyl)phenyl]methyl]pyridine-2,3-diamine

C18H18N4O — CID 11500493

IUPAC3-N-[[3-(5-methoxy-3-pyridinyl)phenyl]methyl]pyridine-2,3-diamine
SMILESCOc1cncc(-c2cccc(CNc3cccnc3N)c2)c1
InChIInChI=1S/C18H18N4O/c1-23-16-9-15(11-20-12-16)14-5-2-4-13(8-14)10-22-17-6-3-7-21-18(17)19/h2-9,11-12,22H,10H2,1H3,(H2,19,21)
InChIKeyPGAWZMRRCVSRIM-UHFFFAOYSA-N
MW306.37 g/mol
LogP3.35
Rot. Bonds5

About 3-N-[[3-(5-methoxy-3-pyridinyl)phenyl]methyl]pyridine-2,3-diamine

3-N-[[3-(5-methoxy-3-pyridinyl)phenyl]methyl]pyridine-2,3-diamine (PubChem CID 11500493) has the molecular formula C18H18N4O and a molecular weight of 306.37 g/mol. Its IUPAC name is 3-N-[[3-(5-methoxy-3-pyridinyl)phenyl]methyl]pyridine-2,3-diamine.

Molecular Properties

Compound Name3-N-[[3-(5-methoxy-3-pyridinyl)phenyl]methyl]pyridine-2,3-diamine
PubChem CID11500493
Molecular FormulaC18H18N4O
Molecular Weight306.37 g/mol
Exact Mass306.15
IUPAC Name3-N-[[3-(5-methoxy-3-pyridinyl)phenyl]methyl]pyridine-2,3-diamine
SMILESCOc1cncc(-c2cccc(CNc3cccnc3N)c2)c1
InChIInChI=1S/C18H18N4O/c1-23-16-9-15(11-20-12-16)14-5-2-4-13(8-14)10-22-17-6-3-7-21-18(17)19/h2-9,11-12,22H,10H2,1H3,(H2,19,21)
InChIKeyPGAWZMRRCVSRIM-UHFFFAOYSA-N
XLogP3.35
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-N-[[3-(5-methoxy-3-pyridinyl)phenyl]methyl]pyridine-2,3-diamine?
The IUPAC name of 3-N-[[3-(5-methoxy-3-pyridinyl)phenyl]methyl]pyridine-2,3-diamine (CID 11500493) is 3-N-[[3-(5-methoxy-3-pyridinyl)phenyl]methyl]pyridine-2,3-diamine.
What is the SMILES notation for 3-N-[[3-(5-methoxy-3-pyridinyl)phenyl]methyl]pyridine-2,3-diamine?
The canonical SMILES for 3-N-[[3-(5-methoxy-3-pyridinyl)phenyl]methyl]pyridine-2,3-diamine is COc1cncc(-c2cccc(CNc3cccnc3N)c2)c1.
What is the InChIKey of 3-N-[[3-(5-methoxy-3-pyridinyl)phenyl]methyl]pyridine-2,3-diamine?
The InChIKey is PGAWZMRRCVSRIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O/c1-23-16-9-15(11-20-12-16)14-5-2-4-13(8-14)10-22-17-6-3-7-21-18(17)19/h2-9,11-12,22H,10H2,1H3,(H2,19,21).
What are the key properties of 3-N-[[3-(5-methoxy-3-pyridinyl)phenyl]methyl]pyridine-2,3-diamine?
3-N-[[3-(5-methoxy-3-pyridinyl)phenyl]methyl]pyridine-2,3-diamine has a molecular weight of 306.37 g/mol, XLogP of 3.35, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-[[3-(5-methoxy-3-pyridinyl)phenyl]methyl]pyridine-2,3-diamine is sourced from PubChem (CID 11500493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).