bis[2-[2-(pyridin-2-ylamino)phenyl]ethyl] carbonate

C27H26N4O3 — CID 67462750

IUPACbis[2-[2-(pyridin-2-ylamino)phenyl]ethyl] carbonate
SMILESO=C(OCCc1ccccc1Nc1ccccn1)OCCc1ccccc1Nc1ccccn1
InChIInChI=1S/C27H26N4O3/c32-27(33-19-15-21-9-1-3-11-23(21)30-25-13-5-7-17-28-25)34-20-16-22-10-2-4-12-24(22)31-26-14-6-8-18-29-26/h1-14,17-18H,15-16,19-20H2,(H,28,30)(H,29,31)
InChIKeyCIMCQRSHIVITBE-UHFFFAOYSA-N
MW454.53 g/mol
LogP5.90
Rot. Bonds10

About bis[2-[2-(pyridin-2-ylamino)phenyl]ethyl] carbonate

bis[2-[2-(pyridin-2-ylamino)phenyl]ethyl] carbonate (PubChem CID 67462750) has the molecular formula C27H26N4O3 and a molecular weight of 454.53 g/mol. Its IUPAC name is bis[2-[2-(pyridin-2-ylamino)phenyl]ethyl] carbonate.

Molecular Properties

Compound Namebis[2-[2-(pyridin-2-ylamino)phenyl]ethyl] carbonate
PubChem CID67462750
Molecular FormulaC27H26N4O3
Molecular Weight454.53 g/mol
Exact Mass454.20
IUPAC Namebis[2-[2-(pyridin-2-ylamino)phenyl]ethyl] carbonate
SMILESO=C(OCCc1ccccc1Nc1ccccn1)OCCc1ccccc1Nc1ccccn1
InChIInChI=1S/C27H26N4O3/c32-27(33-19-15-21-9-1-3-11-23(21)30-25-13-5-7-17-28-25)34-20-16-22-10-2-4-12-24(22)31-26-14-6-8-18-29-26/h1-14,17-18H,15-16,19-20H2,(H,28,30)(H,29,31)
InChIKeyCIMCQRSHIVITBE-UHFFFAOYSA-N
XLogP5.90
TPSA85.37 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500454.53
LogP ≤ 55.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

(2S)-2-(decylamino)-3-[2-(pyridin-2-ylamino)phenyl]propanoic acid
CID 90776260
bis[2-(2-tert-butylphenyl)ethyl] carbonate
CID 67162129
methyl 2-carbamoyl-6-(pyridin-2-ylamino)benzoate
CID 22076450
N-(2-pyridin-2-yloxyphenyl)pyridin-2-amine
CID 155146447
methyl 2-hydroxy-3-(pyridin-2-ylamino)benzoate
CID 70821740
4-N-[2-(2-methoxyethyl)phenyl]pyrimidine-4,6-diamine
CID 102908724
6-hydrazinyl-N-[2-(2-methoxyethyl)phenyl]pyridin-2-amine
CID 102908957
2-(2-hydroxyphenyl)ethyl methyl carbonate
CID 102381478
N-(2-nitrosophenyl)pyridin-2-amine
CID 22903582
2-(pyridin-2-ylamino)ethyl hydrogen carbonate
CID 91086886
N-pyridin-2-ylpyridin-2-amine;hydrochloride
CID 517616
2-[[3-(pyridin-2-ylamino)-2-pyridinyl]sulfanyl]propanoic acid
CID 56698478

Frequently Asked Questions

What is the IUPAC name of bis[2-[2-(pyridin-2-ylamino)phenyl]ethyl] carbonate?
The IUPAC name of bis[2-[2-(pyridin-2-ylamino)phenyl]ethyl] carbonate (CID 67462750) is bis[2-[2-(pyridin-2-ylamino)phenyl]ethyl] carbonate.
What is the SMILES notation for bis[2-[2-(pyridin-2-ylamino)phenyl]ethyl] carbonate?
The canonical SMILES for bis[2-[2-(pyridin-2-ylamino)phenyl]ethyl] carbonate is O=C(OCCc1ccccc1Nc1ccccn1)OCCc1ccccc1Nc1ccccn1.
What is the InChIKey of bis[2-[2-(pyridin-2-ylamino)phenyl]ethyl] carbonate?
The InChIKey is CIMCQRSHIVITBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26N4O3/c32-27(33-19-15-21-9-1-3-11-23(21)30-25-13-5-7-17-28-25)34-20-16-22-10-2-4-12-24(22)31-26-14-6-8-18-29-26/h1-14,17-18H,15-16,19-20H2,(H,28,30)(H,29,31).
What are the key properties of bis[2-[2-(pyridin-2-ylamino)phenyl]ethyl] carbonate?
bis[2-[2-(pyridin-2-ylamino)phenyl]ethyl] carbonate has a molecular weight of 454.53 g/mol, XLogP of 5.90, 10 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for bis[2-[2-(pyridin-2-ylamino)phenyl]ethyl] carbonate is sourced from PubChem (CID 67462750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).