bis[3-[4-(dimethylamino)phenyl]-2-pyridinyl]methanol

C27H28N4O — CID 70128818

IUPACbis[3-[4-(dimethylamino)phenyl]-2-pyridinyl]methanol
SMILESCN(C)c1ccc(-c2cccnc2C(O)c2ncccc2-c2ccc(N(C)C)cc2)cc1
InChIInChI=1S/C27H28N4O/c1-30(2)21-13-9-19(10-14-21)23-7-5-17-28-25(23)27(32)26-24(8-6-18-29-26)20-11-15-22(16-12-20)31(3)4/h5-18,27,32H,1-4H3
InChIKeyIABMCYXDDNMDNP-UHFFFAOYSA-N
MW424.55 g/mol
LogP5.02
Rot. Bonds6

About bis[3-[4-(dimethylamino)phenyl]-2-pyridinyl]methanol

bis[3-[4-(dimethylamino)phenyl]-2-pyridinyl]methanol (PubChem CID 70128818) has the molecular formula C27H28N4O and a molecular weight of 424.55 g/mol. Its IUPAC name is bis[3-[4-(dimethylamino)phenyl]-2-pyridinyl]methanol.

Molecular Properties

Compound Namebis[3-[4-(dimethylamino)phenyl]-2-pyridinyl]methanol
PubChem CID70128818
Molecular FormulaC27H28N4O
Molecular Weight424.55 g/mol
Exact Mass424.23
IUPAC Namebis[3-[4-(dimethylamino)phenyl]-2-pyridinyl]methanol
SMILESCN(C)c1ccc(-c2cccnc2C(O)c2ncccc2-c2ccc(N(C)C)cc2)cc1
InChIInChI=1S/C27H28N4O/c1-30(2)21-13-9-19(10-14-21)23-7-5-17-28-25(23)27(32)26-24(8-6-18-29-26)20-11-15-22(16-12-20)31(3)4/h5-18,27,32H,1-4H3
InChIKeyIABMCYXDDNMDNP-UHFFFAOYSA-N
XLogP5.02
TPSA52.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.55
LogP ≤ 55.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of bis[3-[4-(dimethylamino)phenyl]-2-pyridinyl]methanol?
The IUPAC name of bis[3-[4-(dimethylamino)phenyl]-2-pyridinyl]methanol (CID 70128818) is bis[3-[4-(dimethylamino)phenyl]-2-pyridinyl]methanol.
What is the SMILES notation for bis[3-[4-(dimethylamino)phenyl]-2-pyridinyl]methanol?
The canonical SMILES for bis[3-[4-(dimethylamino)phenyl]-2-pyridinyl]methanol is CN(C)c1ccc(-c2cccnc2C(O)c2ncccc2-c2ccc(N(C)C)cc2)cc1.
What is the InChIKey of bis[3-[4-(dimethylamino)phenyl]-2-pyridinyl]methanol?
The InChIKey is IABMCYXDDNMDNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28N4O/c1-30(2)21-13-9-19(10-14-21)23-7-5-17-28-25(23)27(32)26-24(8-6-18-29-26)20-11-15-22(16-12-20)31(3)4/h5-18,27,32H,1-4H3.
What are the key properties of bis[3-[4-(dimethylamino)phenyl]-2-pyridinyl]methanol?
bis[3-[4-(dimethylamino)phenyl]-2-pyridinyl]methanol has a molecular weight of 424.55 g/mol, XLogP of 5.02, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for bis[3-[4-(dimethylamino)phenyl]-2-pyridinyl]methanol is sourced from PubChem (CID 70128818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).