[4-(2-methyl-4-pyridinyl)phenyl] N-(5-pyrazin-2-yl-2-pyridinyl)carbamate

C22H17N5O2 — CID 122192848

IUPAC[4-(2-methyl-4-pyridinyl)phenyl] N-(5-pyrazin-2-yl-2-pyridinyl)carbamate
SMILESCc1cc(-c2ccc(OC(=O)Nc3ccc(-c4cnccn4)cn3)cc2)ccn1
InChIInChI=1S/C22H17N5O2/c1-15-12-17(8-9-24-15)16-2-5-19(6-3-16)29-22(28)27-21-7-4-18(13-26-21)20-14-23-10-11-25-20/h2-14H,1H3,(H,26,27,28)
InChIKeyAQUPHPLXUVSULY-UHFFFAOYSA-N
MW383.41 g/mol
LogP4.52
Rot. Bonds4

About [4-(2-methyl-4-pyridinyl)phenyl] N-(5-pyrazin-2-yl-2-pyridinyl)carbamate

[4-(2-methyl-4-pyridinyl)phenyl] N-(5-pyrazin-2-yl-2-pyridinyl)carbamate (PubChem CID 122192848) has the molecular formula C22H17N5O2 and a molecular weight of 383.41 g/mol. Its IUPAC name is [4-(2-methyl-4-pyridinyl)phenyl] N-(5-pyrazin-2-yl-2-pyridinyl)carbamate.

Molecular Properties

Compound Name[4-(2-methyl-4-pyridinyl)phenyl] N-(5-pyrazin-2-yl-2-pyridinyl)carbamate
PubChem CID122192848
Molecular FormulaC22H17N5O2
Molecular Weight383.41 g/mol
Exact Mass383.14
IUPAC Name[4-(2-methyl-4-pyridinyl)phenyl] N-(5-pyrazin-2-yl-2-pyridinyl)carbamate
SMILESCc1cc(-c2ccc(OC(=O)Nc3ccc(-c4cnccn4)cn3)cc2)ccn1
InChIInChI=1S/C22H17N5O2/c1-15-12-17(8-9-24-15)16-2-5-19(6-3-16)29-22(28)27-21-7-4-18(13-26-21)20-14-23-10-11-25-20/h2-14H,1H3,(H,26,27,28)
InChIKeyAQUPHPLXUVSULY-UHFFFAOYSA-N
XLogP4.52
TPSA89.89 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.41
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [4-(2-methyl-4-pyridinyl)phenyl] N-(5-pyrazin-2-yl-2-pyridinyl)carbamate?
The IUPAC name of [4-(2-methyl-4-pyridinyl)phenyl] N-(5-pyrazin-2-yl-2-pyridinyl)carbamate (CID 122192848) is [4-(2-methyl-4-pyridinyl)phenyl] N-(5-pyrazin-2-yl-2-pyridinyl)carbamate.
What is the SMILES notation for [4-(2-methyl-4-pyridinyl)phenyl] N-(5-pyrazin-2-yl-2-pyridinyl)carbamate?
The canonical SMILES for [4-(2-methyl-4-pyridinyl)phenyl] N-(5-pyrazin-2-yl-2-pyridinyl)carbamate is Cc1cc(-c2ccc(OC(=O)Nc3ccc(-c4cnccn4)cn3)cc2)ccn1.
What is the InChIKey of [4-(2-methyl-4-pyridinyl)phenyl] N-(5-pyrazin-2-yl-2-pyridinyl)carbamate?
The InChIKey is AQUPHPLXUVSULY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17N5O2/c1-15-12-17(8-9-24-15)16-2-5-19(6-3-16)29-22(28)27-21-7-4-18(13-26-21)20-14-23-10-11-25-20/h2-14H,1H3,(H,26,27,28).
What are the key properties of [4-(2-methyl-4-pyridinyl)phenyl] N-(5-pyrazin-2-yl-2-pyridinyl)carbamate?
[4-(2-methyl-4-pyridinyl)phenyl] N-(5-pyrazin-2-yl-2-pyridinyl)carbamate has a molecular weight of 383.41 g/mol, XLogP of 4.52, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-methyl-4-pyridinyl)phenyl] N-(5-pyrazin-2-yl-2-pyridinyl)carbamate is sourced from PubChem (CID 122192848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).