3-[2-[1-(dipyridin-3-ylamino)ethyl]phenyl]benzamide

C25H22N4O — CID 71173121

IUPAC3-[2-[1-(dipyridin-3-ylamino)ethyl]phenyl]benzamide
SMILESCC(c1ccccc1-c1cccc(C(N)=O)c1)N(c1cccnc1)c1cccnc1
InChIInChI=1S/C25H22N4O/c1-18(29(21-9-5-13-27-16-21)22-10-6-14-28-17-22)23-11-2-3-12-24(23)19-7-4-8-20(15-19)25(26)30/h2-18H,1H3,(H2,26,30)
InChIKeyDHZLGHUDANYSMN-UHFFFAOYSA-N
MW394.48 g/mol
LogP5.14
Rot. Bonds6

About 3-[2-[1-(dipyridin-3-ylamino)ethyl]phenyl]benzamide

3-[2-[1-(dipyridin-3-ylamino)ethyl]phenyl]benzamide (PubChem CID 71173121) has the molecular formula C25H22N4O and a molecular weight of 394.48 g/mol. Its IUPAC name is 3-[2-[1-(dipyridin-3-ylamino)ethyl]phenyl]benzamide.

Molecular Properties

Compound Name3-[2-[1-(dipyridin-3-ylamino)ethyl]phenyl]benzamide
PubChem CID71173121
Molecular FormulaC25H22N4O
Molecular Weight394.48 g/mol
Exact Mass394.18
IUPAC Name3-[2-[1-(dipyridin-3-ylamino)ethyl]phenyl]benzamide
SMILESCC(c1ccccc1-c1cccc(C(N)=O)c1)N(c1cccnc1)c1cccnc1
InChIInChI=1S/C25H22N4O/c1-18(29(21-9-5-13-27-16-21)22-10-6-14-28-17-22)23-11-2-3-12-24(23)19-7-4-8-20(15-19)25(26)30/h2-18H,1H3,(H2,26,30)
InChIKeyDHZLGHUDANYSMN-UHFFFAOYSA-N
XLogP5.14
TPSA72.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.48
LogP ≤ 55.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[2-[1-(dipyridin-3-ylamino)ethyl]phenyl]benzamide?
The IUPAC name of 3-[2-[1-(dipyridin-3-ylamino)ethyl]phenyl]benzamide (CID 71173121) is 3-[2-[1-(dipyridin-3-ylamino)ethyl]phenyl]benzamide.
What is the SMILES notation for 3-[2-[1-(dipyridin-3-ylamino)ethyl]phenyl]benzamide?
The canonical SMILES for 3-[2-[1-(dipyridin-3-ylamino)ethyl]phenyl]benzamide is CC(c1ccccc1-c1cccc(C(N)=O)c1)N(c1cccnc1)c1cccnc1.
What is the InChIKey of 3-[2-[1-(dipyridin-3-ylamino)ethyl]phenyl]benzamide?
The InChIKey is DHZLGHUDANYSMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N4O/c1-18(29(21-9-5-13-27-16-21)22-10-6-14-28-17-22)23-11-2-3-12-24(23)19-7-4-8-20(15-19)25(26)30/h2-18H,1H3,(H2,26,30).
What are the key properties of 3-[2-[1-(dipyridin-3-ylamino)ethyl]phenyl]benzamide?
3-[2-[1-(dipyridin-3-ylamino)ethyl]phenyl]benzamide has a molecular weight of 394.48 g/mol, XLogP of 5.14, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[1-(dipyridin-3-ylamino)ethyl]phenyl]benzamide is sourced from PubChem (CID 71173121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).