2,6-dichloro-N-[2-(pyrazin-2-ylamino)-4-pyridinyl]benzamide

C16H11Cl2N5O — CID 59618123

IUPAC2,6-dichloro-N-[2-(pyrazin-2-ylamino)-4-pyridinyl]benzamide
SMILESO=C(Nc1ccnc(Nc2cnccn2)c1)c1c(Cl)cccc1Cl
InChIInChI=1S/C16H11Cl2N5O/c17-11-2-1-3-12(18)15(11)16(24)22-10-4-5-20-13(8-10)23-14-9-19-6-7-21-14/h1-9H,(H2,20,21,22,23,24)
InChIKeyAPYBKHALFMOUFU-UHFFFAOYSA-N
MW360.20 g/mol
LogP4.17
Rot. Bonds4

About 2,6-dichloro-N-[2-(pyrazin-2-ylamino)-4-pyridinyl]benzamide

2,6-dichloro-N-[2-(pyrazin-2-ylamino)-4-pyridinyl]benzamide (PubChem CID 59618123) has the molecular formula C16H11Cl2N5O and a molecular weight of 360.20 g/mol. Its IUPAC name is 2,6-dichloro-N-[2-(pyrazin-2-ylamino)-4-pyridinyl]benzamide.

Molecular Properties

Compound Name2,6-dichloro-N-[2-(pyrazin-2-ylamino)-4-pyridinyl]benzamide
PubChem CID59618123
Molecular FormulaC16H11Cl2N5O
Molecular Weight360.20 g/mol
Exact Mass359.03
IUPAC Name2,6-dichloro-N-[2-(pyrazin-2-ylamino)-4-pyridinyl]benzamide
SMILESO=C(Nc1ccnc(Nc2cnccn2)c1)c1c(Cl)cccc1Cl
InChIInChI=1S/C16H11Cl2N5O/c17-11-2-1-3-12(18)15(11)16(24)22-10-4-5-20-13(8-10)23-14-9-19-6-7-21-14/h1-9H,(H2,20,21,22,23,24)
InChIKeyAPYBKHALFMOUFU-UHFFFAOYSA-N
XLogP4.17
TPSA79.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.20
LogP ≤ 54.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-N-[2-(pyrazin-2-ylamino)-4-pyridinyl]benzamide?
The IUPAC name of 2,6-dichloro-N-[2-(pyrazin-2-ylamino)-4-pyridinyl]benzamide (CID 59618123) is 2,6-dichloro-N-[2-(pyrazin-2-ylamino)-4-pyridinyl]benzamide.
What is the SMILES notation for 2,6-dichloro-N-[2-(pyrazin-2-ylamino)-4-pyridinyl]benzamide?
The canonical SMILES for 2,6-dichloro-N-[2-(pyrazin-2-ylamino)-4-pyridinyl]benzamide is O=C(Nc1ccnc(Nc2cnccn2)c1)c1c(Cl)cccc1Cl.
What is the InChIKey of 2,6-dichloro-N-[2-(pyrazin-2-ylamino)-4-pyridinyl]benzamide?
The InChIKey is APYBKHALFMOUFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11Cl2N5O/c17-11-2-1-3-12(18)15(11)16(24)22-10-4-5-20-13(8-10)23-14-9-19-6-7-21-14/h1-9H,(H2,20,21,22,23,24).
What are the key properties of 2,6-dichloro-N-[2-(pyrazin-2-ylamino)-4-pyridinyl]benzamide?
2,6-dichloro-N-[2-(pyrazin-2-ylamino)-4-pyridinyl]benzamide has a molecular weight of 360.20 g/mol, XLogP of 4.17, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-N-[2-(pyrazin-2-ylamino)-4-pyridinyl]benzamide is sourced from PubChem (CID 59618123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).