1,3-diphenyl-2-pyridin-2-yl-3-(pyridin-2-ylamino)propan-1-ol

C25H23N3O — CID 20587678

IUPAC1,3-diphenyl-2-pyridin-2-yl-3-(pyridin-2-ylamino)propan-1-ol
SMILESOC(c1ccccc1)C(c1ccccn1)C(Nc1ccccn1)c1ccccc1
InChIInChI=1S/C25H23N3O/c29-25(20-13-5-2-6-14-20)23(21-15-7-9-17-26-21)24(19-11-3-1-4-12-19)28-22-16-8-10-18-27-22/h1-18,23-25,29H,(H,27,28)
InChIKeyBYSMOGXULVPVBW-UHFFFAOYSA-N
MW381.48 g/mol
LogP5.15
Rot. Bonds7

About 1,3-diphenyl-2-pyridin-2-yl-3-(pyridin-2-ylamino)propan-1-ol

1,3-diphenyl-2-pyridin-2-yl-3-(pyridin-2-ylamino)propan-1-ol (PubChem CID 20587678) has the molecular formula C25H23N3O and a molecular weight of 381.48 g/mol. Its IUPAC name is 1,3-diphenyl-2-pyridin-2-yl-3-(pyridin-2-ylamino)propan-1-ol.

Molecular Properties

Compound Name1,3-diphenyl-2-pyridin-2-yl-3-(pyridin-2-ylamino)propan-1-ol
PubChem CID20587678
Molecular FormulaC25H23N3O
Molecular Weight381.48 g/mol
Exact Mass381.18
IUPAC Name1,3-diphenyl-2-pyridin-2-yl-3-(pyridin-2-ylamino)propan-1-ol
SMILESOC(c1ccccc1)C(c1ccccn1)C(Nc1ccccn1)c1ccccc1
InChIInChI=1S/C25H23N3O/c29-25(20-13-5-2-6-14-20)23(21-15-7-9-17-26-21)24(19-11-3-1-4-12-19)28-22-16-8-10-18-27-22/h1-18,23-25,29H,(H,27,28)
InChIKeyBYSMOGXULVPVBW-UHFFFAOYSA-N
XLogP5.15
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.48
LogP ≤ 55.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1,3-diphenyl-2-pyridin-2-yl-3-(pyridin-2-ylamino)propan-1-ol?
The IUPAC name of 1,3-diphenyl-2-pyridin-2-yl-3-(pyridin-2-ylamino)propan-1-ol (CID 20587678) is 1,3-diphenyl-2-pyridin-2-yl-3-(pyridin-2-ylamino)propan-1-ol.
What is the SMILES notation for 1,3-diphenyl-2-pyridin-2-yl-3-(pyridin-2-ylamino)propan-1-ol?
The canonical SMILES for 1,3-diphenyl-2-pyridin-2-yl-3-(pyridin-2-ylamino)propan-1-ol is OC(c1ccccc1)C(c1ccccn1)C(Nc1ccccn1)c1ccccc1.
What is the InChIKey of 1,3-diphenyl-2-pyridin-2-yl-3-(pyridin-2-ylamino)propan-1-ol?
The InChIKey is BYSMOGXULVPVBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N3O/c29-25(20-13-5-2-6-14-20)23(21-15-7-9-17-26-21)24(19-11-3-1-4-12-19)28-22-16-8-10-18-27-22/h1-18,23-25,29H,(H,27,28).
What are the key properties of 1,3-diphenyl-2-pyridin-2-yl-3-(pyridin-2-ylamino)propan-1-ol?
1,3-diphenyl-2-pyridin-2-yl-3-(pyridin-2-ylamino)propan-1-ol has a molecular weight of 381.48 g/mol, XLogP of 5.15, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-diphenyl-2-pyridin-2-yl-3-(pyridin-2-ylamino)propan-1-ol is sourced from PubChem (CID 20587678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).