5-[6-(3-chloroanilino)pyrazin-2-yl]-N-(3-hydroxypropyl)pyridine-3-carboxamide

C19H18ClN5O2 — CID 5330371

IUPAC5-[6-(3-chloroanilino)pyrazin-2-yl]-N-(3-hydroxypropyl)pyridine-3-carboxamide
SMILESO=C(NCCCO)c1cncc(-c2cncc(Nc3cccc(Cl)c3)n2)c1
InChIInChI=1S/C19H18ClN5O2/c20-15-3-1-4-16(8-15)24-18-12-22-11-17(25-18)13-7-14(10-21-9-13)19(27)23-5-2-6-26/h1,3-4,7-12,26H,2,5-6H2,(H,23,27)(H,24,25)
InChIKeyCQKZPPUFUROCPO-UHFFFAOYSA-N
MW383.84 g/mol
LogP3.05
Rot. Bonds7

About 5-[6-(3-chloroanilino)pyrazin-2-yl]-N-(3-hydroxypropyl)pyridine-3-carboxamide

5-[6-(3-chloroanilino)pyrazin-2-yl]-N-(3-hydroxypropyl)pyridine-3-carboxamide (PubChem CID 5330371) has the molecular formula C19H18ClN5O2 and a molecular weight of 383.84 g/mol. Its IUPAC name is 5-[6-(3-chloroanilino)pyrazin-2-yl]-N-(3-hydroxypropyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name5-[6-(3-chloroanilino)pyrazin-2-yl]-N-(3-hydroxypropyl)pyridine-3-carboxamide
PubChem CID5330371
Molecular FormulaC19H18ClN5O2
Molecular Weight383.84 g/mol
Exact Mass383.11
IUPAC Name5-[6-(3-chloroanilino)pyrazin-2-yl]-N-(3-hydroxypropyl)pyridine-3-carboxamide
SMILESO=C(NCCCO)c1cncc(-c2cncc(Nc3cccc(Cl)c3)n2)c1
InChIInChI=1S/C19H18ClN5O2/c20-15-3-1-4-16(8-15)24-18-12-22-11-17(25-18)13-7-14(10-21-9-13)19(27)23-5-2-6-26/h1,3-4,7-12,26H,2,5-6H2,(H,23,27)(H,24,25)
InChIKeyCQKZPPUFUROCPO-UHFFFAOYSA-N
XLogP3.05
TPSA100.03 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.84
LogP ≤ 53.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-[6-(3-chloroanilino)pyrazin-2-yl]-N-(3-hydroxypropyl)pyridine-3-carboxamide?
The IUPAC name of 5-[6-(3-chloroanilino)pyrazin-2-yl]-N-(3-hydroxypropyl)pyridine-3-carboxamide (CID 5330371) is 5-[6-(3-chloroanilino)pyrazin-2-yl]-N-(3-hydroxypropyl)pyridine-3-carboxamide.
What is the SMILES notation for 5-[6-(3-chloroanilino)pyrazin-2-yl]-N-(3-hydroxypropyl)pyridine-3-carboxamide?
The canonical SMILES for 5-[6-(3-chloroanilino)pyrazin-2-yl]-N-(3-hydroxypropyl)pyridine-3-carboxamide is O=C(NCCCO)c1cncc(-c2cncc(Nc3cccc(Cl)c3)n2)c1.
What is the InChIKey of 5-[6-(3-chloroanilino)pyrazin-2-yl]-N-(3-hydroxypropyl)pyridine-3-carboxamide?
The InChIKey is CQKZPPUFUROCPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClN5O2/c20-15-3-1-4-16(8-15)24-18-12-22-11-17(25-18)13-7-14(10-21-9-13)19(27)23-5-2-6-26/h1,3-4,7-12,26H,2,5-6H2,(H,23,27)(H,24,25).
What are the key properties of 5-[6-(3-chloroanilino)pyrazin-2-yl]-N-(3-hydroxypropyl)pyridine-3-carboxamide?
5-[6-(3-chloroanilino)pyrazin-2-yl]-N-(3-hydroxypropyl)pyridine-3-carboxamide has a molecular weight of 383.84 g/mol, XLogP of 3.05, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[6-(3-chloroanilino)pyrazin-2-yl]-N-(3-hydroxypropyl)pyridine-3-carboxamide is sourced from PubChem (CID 5330371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).