N-benzyl-2-[3-(3-phenyl-2-pyridinyl)-2-pyridinyl]pyridin-4-amine

C28H22N4 — CID 175335566

IUPACN-benzyl-2-[3-(3-phenyl-2-pyridinyl)-2-pyridinyl]pyridin-4-amine
SMILESc1ccc(CNc2ccnc(-c3ncccc3-c3ncccc3-c3ccccc3)c2)cc1
InChIInChI=1S/C28H22N4/c1-3-9-21(10-4-1)20-32-23-15-18-29-26(19-23)28-25(14-8-17-31-28)27-24(13-7-16-30-27)22-11-5-2-6-12-22/h1-19H,20H2,(H,29,32)
InChIKeyYVTWOTVBQUNPOR-UHFFFAOYSA-N
MW414.51 g/mol
LogP6.48
Rot. Bonds6

About N-benzyl-2-[3-(3-phenyl-2-pyridinyl)-2-pyridinyl]pyridin-4-amine

N-benzyl-2-[3-(3-phenyl-2-pyridinyl)-2-pyridinyl]pyridin-4-amine (PubChem CID 175335566) has the molecular formula C28H22N4 and a molecular weight of 414.51 g/mol. Its IUPAC name is N-benzyl-2-[3-(3-phenyl-2-pyridinyl)-2-pyridinyl]pyridin-4-amine.

Molecular Properties

Compound NameN-benzyl-2-[3-(3-phenyl-2-pyridinyl)-2-pyridinyl]pyridin-4-amine
PubChem CID175335566
Molecular FormulaC28H22N4
Molecular Weight414.51 g/mol
Exact Mass414.18
IUPAC NameN-benzyl-2-[3-(3-phenyl-2-pyridinyl)-2-pyridinyl]pyridin-4-amine
SMILESc1ccc(CNc2ccnc(-c3ncccc3-c3ncccc3-c3ccccc3)c2)cc1
InChIInChI=1S/C28H22N4/c1-3-9-21(10-4-1)20-32-23-15-18-29-26(19-23)28-25(14-8-17-31-28)27-24(13-7-16-30-27)22-11-5-2-6-12-22/h1-19H,20H2,(H,29,32)
InChIKeyYVTWOTVBQUNPOR-UHFFFAOYSA-N
XLogP6.48
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.51
LogP ≤ 56.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[3-(3-phenyl-2-pyridinyl)-2-pyridinyl]pyridin-4-amine?
The IUPAC name of N-benzyl-2-[3-(3-phenyl-2-pyridinyl)-2-pyridinyl]pyridin-4-amine (CID 175335566) is N-benzyl-2-[3-(3-phenyl-2-pyridinyl)-2-pyridinyl]pyridin-4-amine.
What is the SMILES notation for N-benzyl-2-[3-(3-phenyl-2-pyridinyl)-2-pyridinyl]pyridin-4-amine?
The canonical SMILES for N-benzyl-2-[3-(3-phenyl-2-pyridinyl)-2-pyridinyl]pyridin-4-amine is c1ccc(CNc2ccnc(-c3ncccc3-c3ncccc3-c3ccccc3)c2)cc1.
What is the InChIKey of N-benzyl-2-[3-(3-phenyl-2-pyridinyl)-2-pyridinyl]pyridin-4-amine?
The InChIKey is YVTWOTVBQUNPOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H22N4/c1-3-9-21(10-4-1)20-32-23-15-18-29-26(19-23)28-25(14-8-17-31-28)27-24(13-7-16-30-27)22-11-5-2-6-12-22/h1-19H,20H2,(H,29,32).
What are the key properties of N-benzyl-2-[3-(3-phenyl-2-pyridinyl)-2-pyridinyl]pyridin-4-amine?
N-benzyl-2-[3-(3-phenyl-2-pyridinyl)-2-pyridinyl]pyridin-4-amine has a molecular weight of 414.51 g/mol, XLogP of 6.48, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-[3-(3-phenyl-2-pyridinyl)-2-pyridinyl]pyridin-4-amine is sourced from PubChem (CID 175335566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).