N-[3-[6-[(2,6-dichloro-4-pyridinyl)amino]pyrazin-2-yl]phenyl]acetamide

C17H13Cl2N5O — CID 11523639

IUPACN-[3-[6-[(2,6-dichloro-4-pyridinyl)amino]pyrazin-2-yl]phenyl]acetamide
SMILESCC(=O)Nc1cccc(-c2cncc(Nc3cc(Cl)nc(Cl)c3)n2)c1
InChIInChI=1S/C17H13Cl2N5O/c1-10(25)21-12-4-2-3-11(5-12)14-8-20-9-17(23-14)22-13-6-15(18)24-16(19)7-13/h2-9H,1H3,(H,21,25)(H,22,23,24)
InChIKeyHBZLYXODYAMSLH-UHFFFAOYSA-N
MW374.23 g/mol
LogP4.55
Rot. Bonds4

About N-[3-[6-[(2,6-dichloro-4-pyridinyl)amino]pyrazin-2-yl]phenyl]acetamide

N-[3-[6-[(2,6-dichloro-4-pyridinyl)amino]pyrazin-2-yl]phenyl]acetamide (PubChem CID 11523639) has the molecular formula C17H13Cl2N5O and a molecular weight of 374.23 g/mol. Its IUPAC name is N-[3-[6-[(2,6-dichloro-4-pyridinyl)amino]pyrazin-2-yl]phenyl]acetamide.

Molecular Properties

Compound NameN-[3-[6-[(2,6-dichloro-4-pyridinyl)amino]pyrazin-2-yl]phenyl]acetamide
PubChem CID11523639
Molecular FormulaC17H13Cl2N5O
Molecular Weight374.23 g/mol
Exact Mass373.05
IUPAC NameN-[3-[6-[(2,6-dichloro-4-pyridinyl)amino]pyrazin-2-yl]phenyl]acetamide
SMILESCC(=O)Nc1cccc(-c2cncc(Nc3cc(Cl)nc(Cl)c3)n2)c1
InChIInChI=1S/C17H13Cl2N5O/c1-10(25)21-12-4-2-3-11(5-12)14-8-20-9-17(23-14)22-13-6-15(18)24-16(19)7-13/h2-9H,1H3,(H,21,25)(H,22,23,24)
InChIKeyHBZLYXODYAMSLH-UHFFFAOYSA-N
XLogP4.55
TPSA79.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.23
LogP ≤ 54.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[3-[6-[(2,6-dichloro-4-pyridinyl)amino]pyrazin-2-yl]phenyl]acetamide?
The IUPAC name of N-[3-[6-[(2,6-dichloro-4-pyridinyl)amino]pyrazin-2-yl]phenyl]acetamide (CID 11523639) is N-[3-[6-[(2,6-dichloro-4-pyridinyl)amino]pyrazin-2-yl]phenyl]acetamide.
What is the SMILES notation for N-[3-[6-[(2,6-dichloro-4-pyridinyl)amino]pyrazin-2-yl]phenyl]acetamide?
The canonical SMILES for N-[3-[6-[(2,6-dichloro-4-pyridinyl)amino]pyrazin-2-yl]phenyl]acetamide is CC(=O)Nc1cccc(-c2cncc(Nc3cc(Cl)nc(Cl)c3)n2)c1.
What is the InChIKey of N-[3-[6-[(2,6-dichloro-4-pyridinyl)amino]pyrazin-2-yl]phenyl]acetamide?
The InChIKey is HBZLYXODYAMSLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13Cl2N5O/c1-10(25)21-12-4-2-3-11(5-12)14-8-20-9-17(23-14)22-13-6-15(18)24-16(19)7-13/h2-9H,1H3,(H,21,25)(H,22,23,24).
What are the key properties of N-[3-[6-[(2,6-dichloro-4-pyridinyl)amino]pyrazin-2-yl]phenyl]acetamide?
N-[3-[6-[(2,6-dichloro-4-pyridinyl)amino]pyrazin-2-yl]phenyl]acetamide has a molecular weight of 374.23 g/mol, XLogP of 4.55, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[6-[(2,6-dichloro-4-pyridinyl)amino]pyrazin-2-yl]phenyl]acetamide is sourced from PubChem (CID 11523639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).