N,N-bis[(6-methoxy-2-pyridinyl)methyl]-1,1-dipyridin-2-ylmethanamine

C25H25N5O2 — CID 101246134

IUPACN,N-bis[(6-methoxy-2-pyridinyl)methyl]-1,1-dipyridin-2-ylmethanamine
SMILESCOc1cccc(CN(Cc2cccc(OC)n2)C(c2ccccn2)c2ccccn2)n1
InChIInChI=1S/C25H25N5O2/c1-31-23-13-7-9-19(28-23)17-30(18-20-10-8-14-24(29-20)32-2)25(21-11-3-5-15-26-21)22-12-4-6-16-27-22/h3-16,25H,17-18H2,1-2H3
InChIKeyITVGBKVSXUNGKF-UHFFFAOYSA-N
MW427.51 g/mol
LogP4.08
Rot. Bonds9

About N,N-bis[(6-methoxy-2-pyridinyl)methyl]-1,1-dipyridin-2-ylmethanamine

N,N-bis[(6-methoxy-2-pyridinyl)methyl]-1,1-dipyridin-2-ylmethanamine (PubChem CID 101246134) has the molecular formula C25H25N5O2 and a molecular weight of 427.51 g/mol. Its IUPAC name is N,N-bis[(6-methoxy-2-pyridinyl)methyl]-1,1-dipyridin-2-ylmethanamine.

Molecular Properties

Compound NameN,N-bis[(6-methoxy-2-pyridinyl)methyl]-1,1-dipyridin-2-ylmethanamine
PubChem CID101246134
Molecular FormulaC25H25N5O2
Molecular Weight427.51 g/mol
Exact Mass427.20
IUPAC NameN,N-bis[(6-methoxy-2-pyridinyl)methyl]-1,1-dipyridin-2-ylmethanamine
SMILESCOc1cccc(CN(Cc2cccc(OC)n2)C(c2ccccn2)c2ccccn2)n1
InChIInChI=1S/C25H25N5O2/c1-31-23-13-7-9-19(28-23)17-30(18-20-10-8-14-24(29-20)32-2)25(21-11-3-5-15-26-21)22-12-4-6-16-27-22/h3-16,25H,17-18H2,1-2H3
InChIKeyITVGBKVSXUNGKF-UHFFFAOYSA-N
XLogP4.08
TPSA73.26 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.51
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N,N-bis[(6-methoxy-2-pyridinyl)methyl]-1,1-dipyridin-2-ylmethanamine?
The IUPAC name of N,N-bis[(6-methoxy-2-pyridinyl)methyl]-1,1-dipyridin-2-ylmethanamine (CID 101246134) is N,N-bis[(6-methoxy-2-pyridinyl)methyl]-1,1-dipyridin-2-ylmethanamine.
What is the SMILES notation for N,N-bis[(6-methoxy-2-pyridinyl)methyl]-1,1-dipyridin-2-ylmethanamine?
The canonical SMILES for N,N-bis[(6-methoxy-2-pyridinyl)methyl]-1,1-dipyridin-2-ylmethanamine is COc1cccc(CN(Cc2cccc(OC)n2)C(c2ccccn2)c2ccccn2)n1.
What is the InChIKey of N,N-bis[(6-methoxy-2-pyridinyl)methyl]-1,1-dipyridin-2-ylmethanamine?
The InChIKey is ITVGBKVSXUNGKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N5O2/c1-31-23-13-7-9-19(28-23)17-30(18-20-10-8-14-24(29-20)32-2)25(21-11-3-5-15-26-21)22-12-4-6-16-27-22/h3-16,25H,17-18H2,1-2H3.
What are the key properties of N,N-bis[(6-methoxy-2-pyridinyl)methyl]-1,1-dipyridin-2-ylmethanamine?
N,N-bis[(6-methoxy-2-pyridinyl)methyl]-1,1-dipyridin-2-ylmethanamine has a molecular weight of 427.51 g/mol, XLogP of 4.08, 9 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis[(6-methoxy-2-pyridinyl)methyl]-1,1-dipyridin-2-ylmethanamine is sourced from PubChem (CID 101246134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).