N-[4-[4-(pyridin-2-ylamino)phenyl]phenyl]pyridin-2-amine

C22H18N4 — CID 5238475

IUPACN-[4-[4-(pyridin-2-ylamino)phenyl]phenyl]pyridin-2-amine
SMILESc1ccc(Nc2ccc(-c3ccc(Nc4ccccn4)cc3)cc2)nc1
InChIInChI=1S/C22H18N4/c1-3-15-23-21(5-1)25-19-11-7-17(8-12-19)18-9-13-20(14-10-18)26-22-6-2-4-16-24-22/h1-16H,(H,23,25)(H,24,26)
InChIKeyFILIAJXQBUKELG-UHFFFAOYSA-N
MW338.41 g/mol
LogP5.63
Rot. Bonds5

About N-[4-[4-(pyridin-2-ylamino)phenyl]phenyl]pyridin-2-amine

N-[4-[4-(pyridin-2-ylamino)phenyl]phenyl]pyridin-2-amine (PubChem CID 5238475) has the molecular formula C22H18N4 and a molecular weight of 338.41 g/mol. Its IUPAC name is N-[4-[4-(pyridin-2-ylamino)phenyl]phenyl]pyridin-2-amine.

Molecular Properties

Compound NameN-[4-[4-(pyridin-2-ylamino)phenyl]phenyl]pyridin-2-amine
PubChem CID5238475
Molecular FormulaC22H18N4
Molecular Weight338.41 g/mol
Exact Mass338.15
IUPAC NameN-[4-[4-(pyridin-2-ylamino)phenyl]phenyl]pyridin-2-amine
SMILESc1ccc(Nc2ccc(-c3ccc(Nc4ccccn4)cc3)cc2)nc1
InChIInChI=1S/C22H18N4/c1-3-15-23-21(5-1)25-19-11-7-17(8-12-19)18-9-13-20(14-10-18)26-22-6-2-4-16-24-22/h1-16H,(H,23,25)(H,24,26)
InChIKeyFILIAJXQBUKELG-UHFFFAOYSA-N
XLogP5.63
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.41
LogP ≤ 55.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(pyridin-2-ylamino)phenyl]phenyl]pyridin-2-amine?
The IUPAC name of N-[4-[4-(pyridin-2-ylamino)phenyl]phenyl]pyridin-2-amine (CID 5238475) is N-[4-[4-(pyridin-2-ylamino)phenyl]phenyl]pyridin-2-amine.
What is the SMILES notation for N-[4-[4-(pyridin-2-ylamino)phenyl]phenyl]pyridin-2-amine?
The canonical SMILES for N-[4-[4-(pyridin-2-ylamino)phenyl]phenyl]pyridin-2-amine is c1ccc(Nc2ccc(-c3ccc(Nc4ccccn4)cc3)cc2)nc1.
What is the InChIKey of N-[4-[4-(pyridin-2-ylamino)phenyl]phenyl]pyridin-2-amine?
The InChIKey is FILIAJXQBUKELG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N4/c1-3-15-23-21(5-1)25-19-11-7-17(8-12-19)18-9-13-20(14-10-18)26-22-6-2-4-16-24-22/h1-16H,(H,23,25)(H,24,26).
What are the key properties of N-[4-[4-(pyridin-2-ylamino)phenyl]phenyl]pyridin-2-amine?
N-[4-[4-(pyridin-2-ylamino)phenyl]phenyl]pyridin-2-amine has a molecular weight of 338.41 g/mol, XLogP of 5.63, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-(pyridin-2-ylamino)phenyl]phenyl]pyridin-2-amine is sourced from PubChem (CID 5238475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).